CID 4694045

Carbobenzyloxysarcosylglycine

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CN(CC(=O)NCC(=O)O)C(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C13H16N2O5/c1-15(8-11(16)14-7-12(17)18)13(19)20-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,16)(H,17,18)
InChIKey
HZTCJXSEHNRBTH-UHFFFAOYSA-N
Compound name
2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.10593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.113206 163.0
[M+Na]+ 303.095148 166.5
[M-H]- 279.098654 166.0
[M+NH4]+ 298.139753 177.5
[M+K]+ 319.069088 166.7
[M+H-H2O]+ 263.103190 155.2
[M+HCOO]- 325.104131 186.0
[M+CH3COO]- 339.119781 202.8
[M+Na-2H]- 301.080596 164.9
[M]+ 280.10538142 165.1
[M]- 280.10647858 165.1
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