CID 16640768

3-ethyl-1-(4-hydroxycyclohexyl)urea

Structural Information

Molecular Formula
C9H18N2O2
SMILES
CCNC(=O)NC1CCC(CC1)O
InChI
InChI=1S/C9H18N2O2/c1-2-10-9(13)11-7-3-5-8(12)6-4-7/h7-8,12H,2-6H2,1H3,(H2,10,11,13)
InChIKey
BDIMVNHBVCPOFN-UHFFFAOYSA-N
Compound name
1-ethyl-3-(4-hydroxycyclohexyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 142.8
[M+Na]+ 209.126048 145.9
[M-H]- 185.129554 144.1
[M+NH4]+ 204.170653 161.0
[M+K]+ 225.099988 144.6
[M+H-H2O]+ 169.134090 136.6
[M+HCOO]- 231.135031 163.1
[M+CH3COO]- 245.150681 183.6
[M+Na-2H]- 207.111496 146.1
[M]+ 186.13628142 136.7
[M]- 186.13737858 136.7
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

patents stripe