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]+ 223.14411 152.5
[M+Na]+ 245.12605 157.4
[M-H]- 221.12955 156.0
[M+NH4]+ 240.17065 170.2
[M+K]+ 261.09999 156.7
[M+H-H2O]+ 205.13409 145.7
[M+HCOO]- 267.13503 175.8
[M+CH3COO]- 281.15068 195.9
[M+Na-2H]- 243.11150 155.1
[M]+ 222.13628 152.4
[M]- 222.13738 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.