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

4
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

literature stripe

Patent stripe

patents stripe