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]+ 214.18016 152.8
[M+Na]+ 236.16210 154.4
[M-H]- 212.16560 153.1
[M+NH4]+ 231.20670 169.8
[M+K]+ 252.13604 152.3
[M+H-H2O]+ 196.17014 146.2
[M+HCOO]- 258.17108 171.0
[M+CH3COO]- 272.18673 187.8
[M+Na-2H]- 234.14755 154.8
[M]+ 213.17233 148.3
[M]- 213.17343 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.