CID 535845

57461-34-4

Structural Information

Molecular Formula
C5H10N2O3
SMILES
COC(=O)C(CC(=O)N)N
InChI
InChI=1S/C5H10N2O3/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H2,7,8)
InChIKey
XWBUDPXCXXQEOU-UHFFFAOYSA-N
Compound name
methyl 2,4-diamino-4-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

525
Patents

146.06914 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.07642 130.5
[M+Na]+ 169.05836 136.2
[M-H]- 145.06186 130.0
[M+NH4]+ 164.10296 150.4
[M+K]+ 185.03230 137.1
[M+H-H2O]+ 129.06640 125.0
[M+HCOO]- 191.06734 153.5
[M+CH3COO]- 205.08299 178.9
[M+Na-2H]- 167.04381 132.4
[M]+ 146.06859 128.5
[M]- 146.06969 128.5
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

patents stripe