CID 89759

N,n'-(1,4-phenylenedicarbonyl)diglycine

Structural Information

Molecular Formula
C12H12N2O6
SMILES
C1=CC(=CC=C1C(=O)NCC(=O)O)C(=O)NCC(=O)O
InChI
InChI=1S/C12H12N2O6/c15-9(16)5-13-11(19)7-1-2-8(4-3-7)12(20)14-6-10(17)18/h1-4H,5-6H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)
InChIKey
SNKLTOILIHVGIH-UHFFFAOYSA-N
Compound name
2-[[4-(carboxymethylcarbamoyl)benzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

280.06955 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.07683 159.3
[M+Na]+ 303.05877 163.2
[M-H]- 279.06227 160.0
[M+NH4]+ 298.10337 172.3
[M+K]+ 319.03271 162.2
[M+H-H2O]+ 263.06681 152.1
[M+HCOO]- 325.06775 179.9
[M+CH3COO]- 339.08340 198.7
[M+Na-2H]- 301.04422 160.2
[M]+ 280.06900 158.4
[M]- 280.07010 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe