CID 3025099

102180-21-2

Structural Information

Molecular Formula
C19H35NO
SMILES
C1CCC(CC1)C2(CCCCC2)OCCN3CCCCC3
InChI
InChI=1S/C19H35NO/c1-4-10-18(11-5-1)19(12-6-2-7-13-19)21-17-16-20-14-8-3-9-15-20/h18H,1-17H2
InChIKey
WMGGSVIDAPBRIO-UHFFFAOYSA-N
Compound name
1-[2-(1-cyclohexylcyclohexyl)oxyethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.27185 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.279126 178.4
[M+Na]+ 316.261068 175.5
[M-H]- 292.264574 182.5
[M+NH4]+ 311.305673 192.4
[M+K]+ 332.235008 172.4
[M+H-H2O]+ 276.269110 167.8
[M+HCOO]- 338.270051 188.1
[M+CH3COO]- 352.285701 200.4
[M+Na-2H]- 314.246516 177.4
[M]+ 293.27130142 165.5
[M]- 293.27239858 165.5
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.