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

16
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 141.0
[M+Na]+ 214.08386 146.9
[M-H]- 190.08736 140.8
[M+NH4]+ 209.12846 158.6
[M+K]+ 230.05780 143.1
[M+H-H2O]+ 174.09190 134.6
[M+HCOO]- 236.09284 157.2
[M+CH3COO]- 250.10849 178.2
[M+Na-2H]- 212.06931 146.6
[M]+ 191.09409 136.2
[M]- 191.09519 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