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 150.6
[M+Na]+ 257.08967 155.6
[M-H]- 233.09317 151.7
[M+NH4]+ 252.13427 166.7
[M+K]+ 273.06361 153.1
[M+H-H2O]+ 217.09771 143.4
[M+HCOO]- 279.09865 168.4
[M+CH3COO]- 293.11430 189.7
[M+Na-2H]- 255.07512 155.5
[M]+ 234.09990 147.3
[M]- 234.10100 147.3
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.