PubChemLite - Levorphanol (C17H23NO)

Structural Information

Molecular Formula

SMILES

CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O

InChI

InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1

InChIKey

JAQUASYNZVUNQP-USXIJHARSA-N

Compound name

(1R,9R,10R)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-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]+	258.18526	161.8
[M+Na]+	280.16720	166.8
[M-H]-	256.17070	164.0
[M+NH4]+	275.21180	181.1
[M+K]+	296.14114	161.4
[M+H-H2O]+	240.17524	152.9
[M+HCOO]-	302.17618	172.1
[M+CH3COO]-	316.19183	171.1
[M+Na-2H]-	278.15265	166.4
[M]+	257.17743	154.4
[M]-	257.17853	154.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

258.18526

161.8

[M+Na]+

280.16720

166.8

[M-H]-

256.17070

164.0

[M+NH4]+

275.21180

181.1

[M+K]+

296.14114

161.4

[M+H-H2O]+

240.17524

152.9

[M+HCOO]-

302.17618

172.1

[M+CH3COO]-

316.19183

171.1

[M+Na-2H]-

278.15265

166.4

[M]+

257.17743

154.4

[M]-

257.17853

154.4

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

Levorphanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe