CID 3077176

1-butanone, 1-cyclohexyl-4-((2-hydroxyethyl)amino)-

Structural Information

Molecular Formula
C12H23NO2
SMILES
C1CCC(CC1)C(=O)CCCNCCO
InChI
InChI=1S/C12H23NO2/c14-10-9-13-8-4-7-12(15)11-5-2-1-3-6-11/h11,13-14H,1-10H2
InChIKey
FTUNMKARRYSAFT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-(2-hydroxyethylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 152.8
[M+Na]+ 236.162098 154.4
[M-H]- 212.165604 153.1
[M+NH4]+ 231.206703 169.8
[M+K]+ 252.136038 152.3
[M+H-H2O]+ 196.170140 146.2
[M+HCOO]- 258.171081 171.0
[M+CH3COO]- 272.186731 187.8
[M+Na-2H]- 234.147546 154.8
[M]+ 213.17233142 148.3
[M]- 213.17342858 148.3
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.