CID 67566158

2-(1,2,3,4-tetrahydroquinolin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CNC2=CC=CC=C2C1CC(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7H2,(H,13,14)
InChIKey
MHDIRUQQZMBVIU-UHFFFAOYSA-N
Compound name
2-(1,2,3,4-tetrahydroquinolin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.0
[M+Na]+ 214.083858 146.9
[M-H]- 190.087364 140.8
[M+NH4]+ 209.128463 158.6
[M+K]+ 230.057798 143.1
[M+H-H2O]+ 174.091900 134.6
[M+HCOO]- 236.092841 157.2
[M+CH3COO]- 250.108491 178.2
[M+Na-2H]- 212.069306 146.6
[M]+ 191.09409142 136.2
[M]- 191.09518858 136.2
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