CID 21894654

5,6,7,8-tetrahydroquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CCC2=C(C1)C=CC(=N2)C(=O)O
InChI
InChI=1S/C10H11NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2,(H,12,13)
InChIKey
UGYRMZVUHVMADQ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

177.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 135.8
[M+Na]+ 200.068198 142.6
[M-H]- 176.071704 137.2
[M+NH4]+ 195.112803 154.7
[M+K]+ 216.042138 140.0
[M+H-H2O]+ 160.076240 129.4
[M+HCOO]- 222.077181 153.9
[M+CH3COO]- 236.092831 177.7
[M+Na-2H]- 198.053646 142.5
[M]+ 177.07843142 132.6
[M]- 177.07952858 132.6
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