CID 15957475

1h-carbazole-1-acetic acid, 2,3,4,4a,9,9a-hexahydro-1-propyl-

Structural Information

Molecular Formula
C17H23NO2
SMILES
CCCC1(CCCC2C1NC3=CC=CC=C23)CC(=O)O
InChI
InChI=1S/C17H23NO2/c1-2-9-17(11-15(19)20)10-5-7-13-12-6-3-4-8-14(12)18-16(13)17/h3-4,6,8,13,16,18H,2,5,7,9-11H2,1H3,(H,19,20)
InChIKey
PZMOYEVAALNVIG-UHFFFAOYSA-N
Compound name
2-(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

273.17288 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 167.3
[M+Na]+ 296.16210 172.7
[M-H]- 272.16560 167.6
[M+NH4]+ 291.20670 186.5
[M+K]+ 312.13604 167.2
[M+H-H2O]+ 256.17014 160.9
[M+HCOO]- 318.17108 180.4
[M+CH3COO]- 332.18673 195.0
[M+Na-2H]- 294.14755 169.2
[M]+ 273.17233 163.3
[M]- 273.17343 163.3
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.