CID 21720509

3-amino-1-cyclopropylurea

Structural Information

Molecular Formula
C4H9N3O
SMILES
C1CC1NC(=O)NN
InChI
InChI=1S/C4H9N3O/c5-7-4(8)6-3-1-2-3/h3H,1-2,5H2,(H2,6,7,8)
InChIKey
IIMMKVNMNLSGOZ-UHFFFAOYSA-N
Compound name
1-amino-3-cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

115.07456 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.081836 118.7
[M+Na]+ 138.063778 126.5
[M-H]- 114.067284 123.3
[M+NH4]+ 133.108383 135.3
[M+K]+ 154.037718 124.6
[M+H-H2O]+ 98.071820 112.8
[M+HCOO]- 160.072761 145.4
[M+CH3COO]- 174.088411 177.8
[M+Na-2H]- 136.049226 126.1
[M]+ 115.07401142 117.3
[M]- 115.07510858 117.3
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