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 152.7
[M+Na]+ 236.16210 160.2
[M+NH4]+ 231.20670 159.8
[M+K]+ 252.13604 154.4
[M-H]- 212.16560 153.7
[M+Na-2H]- 234.14755 155.6
[M]+ 213.17233 153.6
[M]- 213.17343 153.6
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.