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]+ 281.11321 163.0
[M+Na]+ 303.09515 166.5
[M-H]- 279.09865 166.0
[M+NH4]+ 298.13975 177.5
[M+K]+ 319.06909 166.7
[M+H-H2O]+ 263.10319 155.2
[M+HCOO]- 325.10413 186.0
[M+CH3COO]- 339.11978 202.8
[M+Na-2H]- 301.08060 164.9
[M]+ 280.10538 165.1
[M]- 280.10648 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