CID 22683014

2-(1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C(=O)O)N1CCC2=CC=CC=C2C1
InChI
InChI=1S/C12H15NO2/c1-9(12(14)15)13-7-6-10-4-2-3-5-11(10)8-13/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKey
WBBXROBGMOSNAC-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.11028 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.1
[M+Na]+ 228.09950 150.8
[M-H]- 204.10300 146.3
[M+NH4]+ 223.14410 162.8
[M+K]+ 244.07344 148.2
[M+H-H2O]+ 188.10754 138.5
[M+HCOO]- 250.10848 161.5
[M+CH3COO]- 264.12413 184.6
[M+Na-2H]- 226.08495 149.5
[M]+ 205.10973 142.0
[M]- 205.11083 142.0
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