CID 21795914

5,6,7,8-tetrahydroquinoline-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

177.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.8
[M+Na]+ 200.06820 142.6
[M-H]- 176.07170 137.2
[M+NH4]+ 195.11280 154.7
[M+K]+ 216.04214 140.0
[M+H-H2O]+ 160.07624 129.4
[M+HCOO]- 222.07718 153.9
[M+CH3COO]- 236.09283 177.7
[M+Na-2H]- 198.05365 142.5
[M]+ 177.07843 132.6
[M]- 177.07953 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

literature stripe

Patent stripe

patents stripe