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

39
Patents

188.07971 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.086986 140.6
[M+Na]+ 211.068928 145.3
[M-H]- 187.072434 139.3
[M+NH4]+ 206.113533 158.5
[M+K]+ 227.042868 145.4
[M+H-H2O]+ 171.076970 134.7
[M+HCOO]- 233.077911 163.1
[M+CH3COO]- 247.093561 184.3
[M+Na-2H]- 209.054376 143.2
[M]+ 188.07916142 140.1
[M]- 188.08025858 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