CID 60202849

4,5,6,7-tetrahydro-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1CCC2=C(C1)C(=CN2)C(=O)O
InChI
InChI=1S/C9H11NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h5,10H,1-4H2,(H,11,12)
InChIKey
PKYRLHZGZYKIII-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

165.07898 Da
Monoisotopic Mass

1.5
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

No literature data available for this compound.

Patent stripe

patents stripe