CID 6142

M-tolylurea

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC1=CC(=CC=C1)NC(=O)N
InChI
InChI=1S/C8H10N2O/c1-6-3-2-4-7(5-6)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
InChIKey
UVQVMNIYFXZXCI-UHFFFAOYSA-N
Compound name
(3-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

444
Patents

150.07932 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.8
[M+Na]+ 173.06854 141.8
[M+NH4]+ 168.11314 139.1
[M+K]+ 189.04248 136.4
[M-H]- 149.07204 133.7
[M+Na-2H]- 171.05399 137.6
[M]+ 150.07877 132.9
[M]- 150.07987 132.9
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