CID 3040989

1-(2-(2-(6,6-dimethyl-2-norpinanyl)ethoxy)ethyl)-4-pipecoline hydrochloride

Structural Information

Molecular Formula
C19H35NO
SMILES
CC1CCN(CC1)CCOCCC2CCC3CC2C3(C)C
InChI
InChI=1S/C19H35NO/c1-15-6-9-20(10-7-15)11-13-21-12-8-16-4-5-17-14-18(16)19(17,2)3/h15-18H,4-14H2,1-3H3
InChIKey
RNSWMXIDUNUAEA-UHFFFAOYSA-N
Compound name
1-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.27185 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.27913 183.5
[M+Na]+ 316.26107 184.5
[M-H]- 292.26457 182.2
[M+NH4]+ 311.30567 197.3
[M+K]+ 332.23501 183.9
[M+H-H2O]+ 276.26911 171.6
[M+HCOO]- 338.27005 189.7
[M+CH3COO]- 352.28570 212.9
[M+Na-2H]- 314.24652 186.5
[M]+ 293.27130 192.2
[M]- 293.27240 192.2
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.