CID 3018123

71412-19-6

Structural Information

Molecular Formula
C4H6N4O4
SMILES
C(=O)(C(=O)NC(=O)NC(=O)N)N
InChI
InChI=1S/C4H6N4O4/c5-1(9)2(10)7-4(12)8-3(6)11/h(H2,5,9)(H4,6,7,8,10,11,12)
InChIKey
XYISUGIJDGQPCY-UHFFFAOYSA-N
Compound name
N'-(carbamoylcarbamoyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03891 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.046186 133.8
[M+Na]+ 197.028128 138.7
[M-H]- 173.031634 133.6
[M+NH4]+ 192.072733 151.6
[M+K]+ 213.002068 140.0
[M+H-H2O]+ 157.036170 127.2
[M+HCOO]- 219.037111 158.6
[M+CH3COO]- 233.052761 185.6
[M+Na-2H]- 195.013576 135.5
[M]+ 174.03836142 128.7
[M]- 174.03945858 128.7
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.