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

601
Patents

100.06366 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 116.5
[M+Na]+ 123.052878 125.0
[M-H]- 99.056384 121.1
[M+NH4]+ 118.097483 134.0
[M+K]+ 139.026818 123.4
[M+H-H2O]+ 83.060920 110.9
[M+HCOO]- 145.061861 142.2
[M+CH3COO]- 159.077511 173.5
[M+Na-2H]- 121.038326 123.6
[M]+ 100.06311142 115.9
[M]- 100.06420858 115.9
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