CID 70922

Formylurea

Structural Information

Molecular Formula
C2H4N2O2
SMILES
C(=O)NC(=O)N
InChI
InChI=1S/C2H4N2O2/c3-2(6)4-1-5/h1H,(H3,3,4,5,6)
InChIKey
JOWMUPQBELRFRZ-UHFFFAOYSA-N
Compound name
N-carbamoylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

98
References

61447
Patents

88.027275 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.034551 112.5
[M+Na]+ 111.01649 120.0
[M-H]- 87.019999 112.9
[M+NH4]+ 106.06110 135.2
[M+K]+ 126.99043 120.5
[M+H-H2O]+ 71.024535 107.7
[M+HCOO]- 133.02548 138.8
[M+CH3COO]- 147.04113 166.3
[M+Na-2H]- 109.00194 119.7
[M]+ 88.026726 110.3
[M]- 88.027824 110.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe