CID 135429839

Nsc100879

Structural Information

Molecular Formula
C5H9N3O4
SMILES
C(C(C(=O)O)N)C(=O)N/C=N/O
InChI
InChI=1S/C5H9N3O4/c6-3(5(10)11)1-4(9)7-2-8-12/h2-3,12H,1,6H2,(H,10,11)(H,7,8,9)
InChIKey
JDDQIIGVOQKTBH-UHFFFAOYSA-N
Compound name
2-amino-4-[[(E)-hydroxyiminomethyl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.05931 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06659 135.0
[M+Na]+ 198.04853 139.6
[M-H]- 174.05203 133.5
[M+NH4]+ 193.09313 152.7
[M+K]+ 214.02247 140.0
[M+H-H2O]+ 158.05657 128.8
[M+HCOO]- 220.05751 158.5
[M+CH3COO]- 234.07316 183.1
[M+Na-2H]- 196.03398 137.8
[M]+ 175.05876 131.9
[M]- 175.05986 131.9
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.