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

11
Patents

165.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 134.5
[M+Na]+ 188.068198 141.3
[M-H]- 164.071704 134.7
[M+NH4]+ 183.112803 155.1
[M+K]+ 204.042138 138.2
[M+H-H2O]+ 148.076240 129.0
[M+HCOO]- 210.077181 152.2
[M+CH3COO]- 224.092831 172.0
[M+Na-2H]- 186.053646 138.5
[M]+ 165.07843142 129.8
[M]- 165.07952858 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