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

literature stripe

Patent stripe

patents stripe