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]+ 214.18016 153.0
[M+Na]+ 236.16210 153.2
[M-H]- 212.16560 158.1
[M+NH4]+ 231.20670 167.3
[M+K]+ 252.13604 154.0
[M+H-H2O]+ 196.17014 145.5
[M+HCOO]- 258.17108 167.2
[M+CH3COO]- 272.18673 187.6
[M+Na-2H]- 234.14755 155.8
[M]+ 213.17233 144.5
[M]- 213.17343 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.