CID 551914

3-(3-chloro-2-methylphenyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
CC1=C(C=CC=C1Cl)NC(=O)N(C)C
InChI
InChI=1S/C10H13ClN2O/c1-7-8(11)5-4-6-9(7)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKey
YSMGKTOVYFPIPS-UHFFFAOYSA-N
Compound name
3-(3-chloro-2-methylphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.07164 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.078916 145.9
[M+Na]+ 235.060858 154.1
[M-H]- 211.064364 151.3
[M+NH4]+ 230.105463 166.1
[M+K]+ 251.034798 151.7
[M+H-H2O]+ 195.068900 140.5
[M+HCOO]- 257.069841 167.6
[M+CH3COO]- 271.085491 194.3
[M+Na-2H]- 233.046306 150.1
[M]+ 212.07109142 148.7
[M]- 212.07218858 148.7
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