CID 11181

Allylurea

Structural Information

Molecular Formula
C4H8N2O
SMILES
C=CCNC(=O)N
InChI
InChI=1S/C4H8N2O/c1-2-3-6-4(5)7/h2H,1,3H2,(H3,5,6,7)
InChIKey
VPJDULFXCAQHRC-UHFFFAOYSA-N
Compound name
prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

7510
Patents

100.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 119.1
[M+Na]+ 123.05288 125.8
[M-H]- 99.056384 119.2
[M+NH4]+ 118.09748 141.4
[M+K]+ 139.02682 125.3
[M+H-H2O]+ 83.060920 114.2
[M+HCOO]- 145.06186 144.5
[M+CH3COO]- 159.07751 170.3
[M+Na-2H]- 121.03833 125.2
[M]+ 100.06311 116.2
[M]- 100.06421 116.2
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