CID 28740218

1-(4-hydroxyphenyl)-1-methyl-3-(propan-2-yl)urea

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)NC(=O)N(C)C1=CC=C(C=C1)O
InChI
InChI=1S/C11H16N2O2/c1-8(2)12-11(15)13(3)9-4-6-10(14)7-5-9/h4-8,14H,1-3H3,(H,12,15)
InChIKey
ABAIDGGCLDVQPJ-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-1-methyl-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.8
[M+Na]+ 231.11041 153.1
[M-H]- 207.11391 151.6
[M+NH4]+ 226.15501 166.1
[M+K]+ 247.08435 152.7
[M+H-H2O]+ 191.11845 141.2
[M+HCOO]- 253.11939 171.4
[M+CH3COO]- 267.13504 192.9
[M+Na-2H]- 229.09586 151.0
[M]+ 208.12064 147.4
[M]- 208.12174 147.4
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.