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
7
Annotation Hits

27
References

28970
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 115.9
[M+Na]+ 111.05288 122.7
[M-H]- 87.056384 116.1
[M+NH4]+ 106.09748 138.7
[M+K]+ 127.02682 123.1
[M+H-H2O]+ 71.060920 111.1
[M+HCOO]- 133.06186 141.4
[M+CH3COO]- 147.07751 168.2
[M+Na-2H]- 109.03833 122.5
[M]+ 88.063111 113.3
[M]- 88.064209 113.3
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

No patent data available for this compound.