CID 272626

1-cyclopropylurea

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CC1NC(=O)N
InChI
InChI=1S/C4H8N2O/c5-4(7)6-3-1-2-3/h3H,1-2H2,(H3,5,6,7)
InChIKey
CLMGCKCDSPUQEE-UHFFFAOYSA-N
Compound name
cyclopropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

100.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 118.2
[M+Na]+ 123.05288 128.2
[M+NH4]+ 118.09748 126.8
[M+K]+ 139.02682 125.7
[M-H]- 99.056384 126.4
[M+Na-2H]- 121.03833 125.7
[M]+ 100.06311 122.6
[M]- 100.06421 122.6
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