CID 522238

N-cyclohexyl-n'-(2-hydroxyethyl)urea

Structural Information

Molecular Formula
C9H18N2O2
SMILES
C1CCC(CC1)NC(=O)NCCO
InChI
InChI=1S/C9H18N2O2/c12-7-6-10-9(13)11-8-4-2-1-3-5-8/h8,12H,1-7H2,(H2,10,11,13)
InChIKey
MJBAEQKACQBEMK-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 142.6
[M+Na]+ 209.12605 144.8
[M-H]- 185.12955 143.5
[M+NH4]+ 204.17065 160.5
[M+K]+ 225.09999 143.5
[M+H-H2O]+ 169.13409 136.2
[M+HCOO]- 231.13503 162.9
[M+CH3COO]- 245.15068 182.4
[M+Na-2H]- 207.11150 146.6
[M]+ 186.13628 136.1
[M]- 186.13738 136.1
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