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]+ 229.073836 148.6
[M+Na]+ 251.055778 156.8
[M-H]- 227.059284 154.1
[M+NH4]+ 246.100383 168.1
[M+K]+ 267.029718 154.9
[M+H-H2O]+ 211.063820 143.0
[M+HCOO]- 273.064761 170.6
[M+CH3COO]- 287.080411 196.4
[M+Na-2H]- 249.041226 152.9
[M]+ 228.06601142 152.9
[M]- 228.06710858 152.9
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

patents stripe