CID 83816130

Octahydro-1h-indole-6-carboxylic acid

Structural Information

Molecular Formula
C9H15NO2
SMILES
C1CC(CC2C1CCN2)C(=O)O
InChI
InChI=1S/C9H15NO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h6-8,10H,1-5H2,(H,11,12)
InChIKey
SAMCFWIKVXNHLF-UHFFFAOYSA-N
Compound name
2,3,3a,4,5,6,7,7a-octahydro-1H-indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 138.5
[M+Na]+ 192.09950 143.1
[M-H]- 168.10300 137.8
[M+NH4]+ 187.14410 158.6
[M+K]+ 208.07344 140.4
[M+H-H2O]+ 152.10754 132.9
[M+HCOO]- 214.10848 153.0
[M+CH3COO]- 228.12413 172.8
[M+Na-2H]- 190.08495 140.4
[M]+ 169.10973 130.8
[M]- 169.11083 130.8
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.