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

9
Patents

211.04001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.04729 141.1
[M+Na]+ 234.02923 149.6
[M-H]- 210.03273 142.7
[M+NH4]+ 229.07383 159.8
[M+K]+ 250.00317 145.2
[M+H-H2O]+ 194.03727 135.7
[M+HCOO]- 256.03821 154.6
[M+CH3COO]- 270.05386 182.7
[M+Na-2H]- 232.01468 146.6
[M]+ 211.03946 140.3
[M]- 211.04056 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