CID 773806

4,5,6,7-tetrahydro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CCC2=C(C1)C=C(N2)C(=O)O
InChI
InChI=1S/C9H11NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h5,10H,1-4H2,(H,11,12)
InChIKey
NYZDHGPFNPXPCM-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

129
Patents

165.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 134.5
[M+Na]+ 188.06820 141.3
[M-H]- 164.07170 134.7
[M+NH4]+ 183.11280 155.1
[M+K]+ 204.04214 138.2
[M+H-H2O]+ 148.07624 129.0
[M+HCOO]- 210.07718 152.2
[M+CH3COO]- 224.09283 172.0
[M+Na-2H]- 186.05365 138.5
[M]+ 165.07843 129.8
[M]- 165.07953 129.8
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

patents stripe