CID 3019447

3-(2-hydroxyphenyl)-1,1-dimethylurea

Structural Information

Molecular Formula
C9H12N2O2
SMILES
CN(C)C(=O)NC1=CC=CC=C1O
InChI
InChI=1S/C9H12N2O2/c1-11(2)9(13)10-7-5-3-4-6-8(7)12/h3-6,12H,1-2H3,(H,10,13)
InChIKey
VYKYSTWKUAETPR-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenyl)-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

180.08987 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 138.1
[M+Na]+ 203.079088 144.6
[M-H]- 179.082594 142.2
[M+NH4]+ 198.123693 157.6
[M+K]+ 219.053028 144.1
[M+H-H2O]+ 163.087130 131.8
[M+HCOO]- 225.088071 163.4
[M+CH3COO]- 239.103721 185.9
[M+Na-2H]- 201.064536 143.7
[M]+ 180.08932142 137.6
[M]- 180.09041858 137.6
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