CID 15234045

3,3a,4,5,6,7-hexahydro-2h-indole-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H13NO2
SMILES
C1CCC2=NC(CC2C1)C(=O)O
InChI
InChI=1S/C9H13NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6,8H,1-5H2,(H,11,12)
InChIKey
PIBUCWVTUGZXRB-UHFFFAOYSA-N
Compound name
3,3a,4,5,6,7-hexahydro-2H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

167.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 135.9
[M+Na]+ 190.08386 142.0
[M-H]- 166.08736 137.0
[M+NH4]+ 185.12846 157.0
[M+K]+ 206.05780 140.0
[M+H-H2O]+ 150.09190 130.1
[M+HCOO]- 212.09284 153.5
[M+CH3COO]- 226.10849 175.0
[M+Na-2H]- 188.06931 139.3
[M]+ 167.09409 131.5
[M]- 167.09519 131.5
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

patents stripe