CID 75161

Cyanourea, monosodium salt

Structural Information

Molecular Formula
C2H3N3O
SMILES
C(#N)NC(=O)N
InChI
InChI=1S/C2H3N3O/c3-1-5-2(4)6/h(H3,4,5,6)
InChIKey
GIVGDJZVMHYWDM-UHFFFAOYSA-N
Compound name
cyanourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1077
Patents

85.02761 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.034886 115.3
[M+Na]+ 108.016828 123.9
[M-H]- 84.020334 116.0
[M+NH4]+ 103.061433 135.7
[M+K]+ 123.990768 124.7
[M+H-H2O]+ 68.024870 104.0
[M+HCOO]- 130.025811 137.3
[M+CH3COO]- 144.041461 180.4
[M+Na-2H]- 106.002276 121.9
[M]+ 85.02706142 107.6
[M]- 85.02815858 107.6
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