CID 1580564

En300-7536841

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1CN[C@H](C2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C11H13NO2/c13-11(14)7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7H2,(H,13,14)/t10-/m0/s1
InChIKey
BUAVPRGEIAVFBF-JTQLQIEISA-N
Compound name
2-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.6
[M+Na]+ 214.08386 153.1
[M+NH4]+ 209.12846 149.6
[M+K]+ 230.05780 147.2
[M-H]- 190.08736 142.4
[M+Na-2H]- 212.06931 146.3
[M]+ 191.09409 143.2
[M]- 191.09519 143.2
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