CID 15957474

1h-carbazole-1-acetic acid, 5-cyano-2,3,4,4a,9,9a-hexahydro-8-methyl-1-propyl-

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CCCC1(CCCC2C1NC3=C(C=CC(=C23)C#N)C)CC(=O)O
InChI
InChI=1S/C19H24N2O2/c1-3-8-19(10-15(22)23)9-4-5-14-16-13(11-20)7-6-12(2)17(16)21-18(14)19/h6-7,14,18,21H,3-5,8-10H2,1-2H3,(H,22,23)
InChIKey
KIMHQNFLXQHAFY-UHFFFAOYSA-N
Compound name
2-(5-cyano-8-methyl-1-propyl-2,3,4,4a,9,9a-hexahydrocarbazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.18378 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.19106 178.0
[M+Na]+ 335.17300 187.6
[M-H]- 311.17650 178.4
[M+NH4]+ 330.21760 194.4
[M+K]+ 351.14694 178.1
[M+H-H2O]+ 295.18104 165.7
[M+HCOO]- 357.18198 188.0
[M+CH3COO]- 371.19763 214.4
[M+Na-2H]- 333.15845 177.9
[M]+ 312.18323 170.8
[M]- 312.18433 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.