CID 3019448

3-(2-hydroxy-m-tolyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC1=C(C(=CC=C1)NC(=O)N(C)C)O
InChI
InChI=1S/C10H14N2O2/c1-7-5-4-6-8(9(7)13)11-10(14)12(2)3/h4-6,13H,1-3H3,(H,11,14)
InChIKey
RRNUCYMPMFVIGK-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-3-methylphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.10553 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 142.5
[M+Na]+ 217.094748 149.4
[M-H]- 193.098254 146.7
[M+NH4]+ 212.139353 161.7
[M+K]+ 233.068688 148.7
[M+H-H2O]+ 177.102790 136.2
[M+HCOO]- 239.103731 167.4
[M+CH3COO]- 253.119381 190.1
[M+Na-2H]- 215.080196 146.7
[M]+ 194.10498142 142.7
[M]- 194.10607858 142.7
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

No patent data available for this compound.