CID 28507716

2-[(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)amino]acetic acid

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1CN(CC2=CC=CC=C21)C(=O)NCC(=O)O
InChI
InChI=1S/C12H14N2O3/c15-11(16)7-13-12(17)14-6-5-9-3-1-2-4-10(9)8-14/h1-4H,5-8H2,(H,13,17)(H,15,16)
InChIKey
SDKBFRSMGTTWTQ-UHFFFAOYSA-N
Compound name
2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 151.5
[M+Na]+ 257.08967 161.3
[M+NH4]+ 252.13427 158.2
[M+K]+ 273.06361 156.5
[M-H]- 233.09317 152.1
[M+Na-2H]- 255.07512 155.3
[M]+ 234.09990 152.6
[M]- 234.10100 152.6
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

No patent data available for this compound.