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

12
Patents

167.09464 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.101916 135.9
[M+Na]+ 190.083858 142.0
[M-H]- 166.087364 137.0
[M+NH4]+ 185.128463 157.0
[M+K]+ 206.057798 140.0
[M+H-H2O]+ 150.091900 130.1
[M+HCOO]- 212.092841 153.5
[M+CH3COO]- 226.108491 175.0
[M+Na-2H]- 188.069306 139.3
[M]+ 167.09409142 131.5
[M]- 167.09518858 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