CID 3500140

N-(2,3-dimethylphenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
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 135.2
[M+Na]+ 187.08418 146.3
[M+NH4]+ 182.12878 143.2
[M+K]+ 203.05812 140.8
[M-H]- 163.08768 138.0
[M+Na-2H]- 185.06963 141.4
[M]+ 164.09441 137.3
[M]- 164.09551 137.3
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