CID 4227774

1-methyl-3-(m-tolyl)urea

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC1=CC(=CC=C1)NC(=O)NC
InChI
InChI=1S/C9H12N2O/c1-7-4-3-5-8(6-7)11-9(12)10-2/h3-6H,1-2H3,(H2,10,11,12)
InChIKey
GPFRYTPWIIKGFS-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

164.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 134.6
[M+Na]+ 187.084178 141.4
[M-H]- 163.087684 138.6
[M+NH4]+ 182.128783 154.9
[M+K]+ 203.058118 139.8
[M+H-H2O]+ 147.092220 128.5
[M+HCOO]- 209.093161 160.7
[M+CH3COO]- 223.108811 182.8
[M+Na-2H]- 185.069626 141.4
[M]+ 164.09441142 133.3
[M]- 164.09550858 133.3
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