CID 206567

1-ethyl-3-methylurea

Structural Information

Molecular Formula
C4H10N2O
SMILES
CCNC(=O)NC
InChI
InChI=1S/C4H10N2O/c1-3-6-4(7)5-2/h3H2,1-2H3,(H2,5,6,7)
InChIKey
IABRWXCXQSTUSS-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1786
Patents

102.079315 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.08659 120.4
[M+Na]+ 125.06853 126.9
[M-H]- 101.07204 121.0
[M+NH4]+ 120.11314 143.1
[M+K]+ 141.04247 127.4
[M+H-H2O]+ 85.076575 115.4
[M+HCOO]- 147.07752 146.3
[M+CH3COO]- 161.09317 171.3
[M+Na-2H]- 123.05398 127.6
[M]+ 102.07877 119.1
[M]- 102.07986 119.1
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