CID 9543259

Hydroxymonodemethylisoproturon

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)(C1=CC=C(C=C1)NC(=O)NC)O
InChI
InChI=1S/C11H16N2O2/c1-11(2,15)8-4-6-9(7-5-8)13-10(14)12-3/h4-7,15H,1-3H3,(H2,12,13,14)
InChIKey
SEEFRMBNOSYQPH-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxypropan-2-yl)phenyl]-3-methylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

0
Patents

208.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.1
[M+Na]+ 231.11041 152.9
[M-H]- 207.11391 149.5
[M+NH4]+ 226.15501 164.9
[M+K]+ 247.08435 151.0
[M+H-H2O]+ 191.11845 141.2
[M+HCOO]- 253.11939 169.6
[M+CH3COO]- 267.13504 188.9
[M+Na-2H]- 229.09586 153.1
[M]+ 208.12064 145.5
[M]- 208.12174 145.5
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.