CID 12254

Ethylurea

Structural Information

Molecular Formula
C3H8N2O
SMILES
CCNC(=O)N
InChI
InChI=1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKey
RYECOJGRJDOGPP-UHFFFAOYSA-N
Compound name
ethylurea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

29
References

21690
Patents

88.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.070936 115.6
[M+Na]+ 111.05288 124.1
[M+NH4]+ 106.09748 123.3
[M+K]+ 127.02682 120.2
[M-H]- 87.056384 115.6
[M+Na-2H]- 109.03833 119.4
[M]+ 88.063111 116.3
[M]- 88.064209 116.3
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