CID 71347980

189500-72-9

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(CO)C1=CC=C(C=C1)NC(=O)N(C)C
InChI
InChI=1S/C12H18N2O2/c1-9(8-15)10-4-6-11(7-5-10)13-12(16)14(2)3/h4-7,9,15H,8H2,1-3H3,(H,13,16)
InChIKey
MPUWAWYJXIJYDM-UHFFFAOYSA-N
Compound name
3-[4-(1-hydroxypropan-2-yl)phenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.144106 152.5
[M+Na]+ 245.126048 157.4
[M-H]- 221.129554 156.0
[M+NH4]+ 240.170653 170.2
[M+K]+ 261.099988 156.7
[M+H-H2O]+ 205.134090 145.7
[M+HCOO]- 267.135031 175.8
[M+CH3COO]- 281.150681 195.9
[M+Na-2H]- 243.111496 155.1
[M]+ 222.13628142 152.4
[M]- 222.13737858 152.4
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

No patent data available for this compound.