CID 3536737

N-(p-nydroxyphenethyl)actinidine

Structural Information

Molecular Formula
C18H22NO
SMILES
CC1CCC2=C1C=[N+](C=C2C)CCC3=CC=C(C=C3)O
InChI
InChI=1S/C18H21NO/c1-13-3-8-17-14(2)11-19(12-18(13)17)10-9-15-4-6-16(20)7-5-15/h4-7,11-13H,3,8-10H2,1-2H3/p+1
InChIKey
CKHCFVWFFIHGMT-UHFFFAOYSA-O
Compound name
4-[2-(4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium-2-yl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.17014 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17742 167.1
[M+Na]+ 291.15936 175.3
[M-H]- 267.16286 172.6
[M+NH4]+ 286.20396 184.6
[M+K]+ 307.13330 164.1
[M+H-H2O]+ 251.16740 162.3
[M+HCOO]- 313.16834 186.3
[M+CH3COO]- 327.18399 191.9
[M+Na-2H]- 289.14481 171.2
[M]+ 268.16959 166.1
[M]- 268.17069 166.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.