CID 65350927

2-cyclohexyl-1-(1,4-dioxan-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C12H23NO2
SMILES
C1CCC(CC1)CC(C2COCCO2)N
InChI
InChI=1S/C12H23NO2/c13-11(12-9-14-6-7-15-12)8-10-4-2-1-3-5-10/h10-12H,1-9,13H2
InChIKey
WRUSSQDCGCXMEA-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(1,4-dioxan-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.17288 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 153.0
[M+Na]+ 236.162098 153.2
[M-H]- 212.165604 158.1
[M+NH4]+ 231.206703 167.3
[M+K]+ 252.136038 154.0
[M+H-H2O]+ 196.170140 145.5
[M+HCOO]- 258.171081 167.2
[M+CH3COO]- 272.186731 187.6
[M+Na-2H]- 234.147546 155.8
[M]+ 213.17233142 144.5
[M]- 213.17342858 144.5
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.