CID 80558

Urea, 1-methyl-1-(p-tolyl)-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.09496 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.9
[M+Na]+ 187.08418 141.8
[M-H]- 163.08768 139.9
[M+NH4]+ 182.12878 155.5
[M+K]+ 203.05812 141.3
[M+H-H2O]+ 147.09222 128.6
[M+HCOO]- 209.09316 160.9
[M+CH3COO]- 223.10881 186.3
[M+Na-2H]- 185.06963 139.9
[M]+ 164.09441 134.0
[M]- 164.09551 134.0
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