PubChemLite - 6'-hydroxydihydrocinchonidine (C19H24N2O2)

Structural Information

Molecular Formula

SMILES

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)O)O

InChI

InChI=1S/C19H24N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h3-5,7,10,12-13,18-19,22-23H,2,6,8-9,11H2,1H3/t12-,13-,18-,19+/m0/s1

InChIKey

RASAUPYEBCYZRS-BIPCEHGGSA-N

Compound name

4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.19106	172.5
[M+Na]+	335.17300	175.4
[M-H]-	311.17650	167.5
[M+NH4]+	330.21760	188.1
[M+K]+	351.14694	170.3
[M+H-H2O]+	295.18104	163.9
[M+HCOO]-	357.18198	175.7
[M+CH3COO]-	371.19763	178.8
[M+Na-2H]-	333.15845	179.8
[M]+	312.18323	171.7
[M]-	312.18433	171.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

313.19106

172.5

[M+Na]+

335.17300

175.4

[M-H]-

311.17650

167.5

[M+NH4]+

330.21760

188.1

[M+K]+

351.14694

170.3

[M+H-H2O]+

295.18104

163.9

[M+HCOO]-

357.18198

175.7

[M+CH3COO]-

371.19763

178.8

[M+Na-2H]-

333.15845

179.8

[M]+

312.18323

171.7

[M]-

312.18433

171.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

6'-hydroxydihydrocinchonidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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