CID 4581102

3-(3-chloro-4-methylphenyl)-1-methoxy-1-methylurea

Structural Information

Molecular Formula
C10H13ClN2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)N(C)OC)Cl
InChI
InChI=1S/C10H13ClN2O2/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)15-3/h4-6H,1-3H3,(H,12,14)
InChIKey
OXLNSNBYZCMIPL-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methylphenyl)-1-methoxy-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06656 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07384 148.0
[M+Na]+ 251.05578 159.8
[M+NH4]+ 246.10038 156.0
[M+K]+ 267.02972 154.1
[M-H]- 227.05928 150.8
[M+Na-2H]- 249.04123 154.4
[M]+ 228.06601 150.6
[M]- 228.06711 150.6
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.