CID 2785589

1,2,3,4-tetrahydroquinoline-8-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC2=C(C(=CC=C2)C(=O)O)NC1
InChI
InChI=1S/C10H11NO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1,3,5,11H,2,4,6H2,(H,12,13)
InChIKey
PLTGFWDGFXPMCJ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroquinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

177.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.0
[M+Na]+ 200.06820 148.8
[M+NH4]+ 195.11280 145.3
[M+K]+ 216.04214 143.1
[M-H]- 176.07170 138.0
[M+Na-2H]- 198.05365 142.0
[M]+ 177.07843 138.7
[M]- 177.07953 138.7
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