CID 222988

2,2-diacetamidopropanoic acid

Structural Information

Molecular Formula
C7H12N2O4
SMILES
CC(=O)NC(C)(C(=O)O)NC(=O)C
InChI
InChI=1S/C7H12N2O4/c1-4(10)8-7(3,6(12)13)9-5(2)11/h1-3H3,(H,8,10)(H,9,11)(H,12,13)
InChIKey
XSWWTBWNVZPJBQ-UHFFFAOYSA-N
Compound name
2,2-diacetamidopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

188.07971 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08699 139.4
[M+Na]+ 211.06893 144.6
[M-H]- 187.07243 138.5
[M+NH4]+ 206.11353 157.5
[M+K]+ 227.04287 145.2
[M+H-H2O]+ 171.07697 134.5
[M+HCOO]- 233.07791 160.4
[M+CH3COO]- 247.09356 184.5
[M+Na-2H]- 209.05438 143.0
[M]+ 188.07916 138.5
[M]- 188.08026 138.5
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.