CID 1514441

200064-94-4

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CN(CC2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)8-12-6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H,13,14)
InChIKey
OWPUZNHIPYJWIT-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

67
Patents

191.09464 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.5
[M+Na]+ 214.08386 146.8
[M-H]- 190.08736 141.7
[M+NH4]+ 209.12846 158.8
[M+K]+ 230.05780 143.9
[M+H-H2O]+ 174.09190 133.8
[M+HCOO]- 236.09284 158.2
[M+CH3COO]- 250.10849 180.7
[M+Na-2H]- 212.06931 146.6
[M]+ 191.09409 137.6
[M]- 191.09519 137.6
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