CID 13838220

2-chloro-5,6,7,8-tetrahydro-3-quinolinecarboxylic acid

Structural Information

Molecular Formula
C10H10ClNO2
SMILES
C1CCC2=NC(=C(C=C2C1)C(=O)O)Cl
InChI
InChI=1S/C10H10ClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h5H,1-4H2,(H,13,14)
InChIKey
JUAXTTJHJSYZQI-UHFFFAOYSA-N
Compound name
2-chloro-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

211.04001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.047286 141.1
[M+Na]+ 234.029228 149.6
[M-H]- 210.032734 142.7
[M+NH4]+ 229.073833 159.8
[M+K]+ 250.003168 145.2
[M+H-H2O]+ 194.037270 135.7
[M+HCOO]- 256.038211 154.6
[M+CH3COO]- 270.053861 182.7
[M+Na-2H]- 232.014676 146.6
[M]+ 211.03946142 140.3
[M]- 211.04055858 140.3
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