CID 853062

N-cyclohexyl-n'-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]urea

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(CO)(CO)NC(=O)NC1CCCCC1
InChI
InChI=1S/C11H22N2O3/c1-11(7-14,8-15)13-10(16)12-9-5-3-2-4-6-9/h9,14-15H,2-8H2,1H3,(H2,12,13,16)
InChIKey
DLFWNESJEVODFU-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1,3-dihydroxy-2-methylpropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

230.16304 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 153.9
[M+Na]+ 253.15226 155.2
[M-H]- 229.15576 153.2
[M+NH4]+ 248.19686 169.4
[M+K]+ 269.12620 153.6
[M+H-H2O]+ 213.16030 147.9
[M+HCOO]- 275.16124 170.7
[M+CH3COO]- 289.17689 188.7
[M+Na-2H]- 251.13771 157.4
[M]+ 230.16249 147.3
[M]- 230.16359 147.3
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.