CID 18954292

1-ethyl-1,3-dimethylurea

Structural Information

Molecular Formula
C5H12N2O
SMILES
CCN(C)C(=O)NC
InChI
InChI=1S/C5H12N2O/c1-4-7(3)5(8)6-2/h4H2,1-3H3,(H,6,8)
InChIKey
GGYRVEUCCUJDFK-UHFFFAOYSA-N
Compound name
1-ethyl-1,3-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

116.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.10224 125.0
[M+Na]+ 139.08418 131.3
[M-H]- 115.08768 127.0
[M+NH4]+ 134.12878 147.8
[M+K]+ 155.05812 133.0
[M+H-H2O]+ 99.092220 119.7
[M+HCOO]- 161.09316 151.1
[M+CH3COO]- 175.10881 177.9
[M+Na-2H]- 137.06963 130.9
[M]+ 116.09441 125.4
[M]- 116.09551 125.4
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