CID 24703269

3-[(2-acetamidoacetyl)amino]propanoic acid

Structural Information

Molecular Formula
C7H12N2O4
SMILES
CC(=O)NCC(=O)NCCC(=O)O
InChI
InChI=1S/C7H12N2O4/c1-5(10)9-4-6(11)8-3-2-7(12)13/h2-4H2,1H3,(H,8,11)(H,9,10)(H,12,13)
InChIKey
PEEDOBFPBBICBX-UHFFFAOYSA-N
Compound name
3-[(2-acetamidoacetyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

188.07971 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.08699 140.6
[M+Na]+ 211.06893 145.3
[M-H]- 187.07243 139.3
[M+NH4]+ 206.11353 158.5
[M+K]+ 227.04287 145.4
[M+H-H2O]+ 171.07697 134.7
[M+HCOO]- 233.07791 163.1
[M+CH3COO]- 247.09356 184.3
[M+Na-2H]- 209.05438 143.2
[M]+ 188.07916 140.1
[M]- 188.08026 140.1
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