CID 70317

1,3-dimethyl-1-phenylurea

Structural Information

Molecular Formula
C9H12N2O
SMILES
CNC(=O)N(C)C1=CC=CC=C1
InChI
InChI=1S/C9H12N2O/c1-10-9(12)11(2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
InChIKey
ZWOULFZCQXICLZ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1496
Patents

164.09496 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 135.0
[M+Na]+ 187.084178 141.0
[M-H]- 163.087684 140.1
[M+NH4]+ 182.128783 155.6
[M+K]+ 203.058118 140.8
[M+H-H2O]+ 147.092220 128.4
[M+HCOO]- 209.093161 161.6
[M+CH3COO]- 223.108811 185.2
[M+Na-2H]- 185.069626 141.8
[M]+ 164.09441142 134.6
[M]- 164.09550858 134.6
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