CID 270948

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

164.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 134.6
[M+Na]+ 187.08418 141.4
[M-H]- 163.08768 138.6
[M+NH4]+ 182.12878 154.9
[M+K]+ 203.05812 139.8
[M+H-H2O]+ 147.09222 128.5
[M+HCOO]- 209.09316 160.7
[M+CH3COO]- 223.10881 182.8
[M+Na-2H]- 185.06963 141.4
[M]+ 164.09441 133.3
[M]- 164.09551 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