CID 204995

1-(beta-butoxy-4-chloro-3-methylphenethyl)piperidine hydrochloride

Structural Information

Molecular Formula
C18H28ClNO
SMILES
CCC(C)OC(CC1=CC(=C(C=C1)Cl)C)N2CCCCC2
InChI
InChI=1S/C18H28ClNO/c1-4-15(3)21-18(20-10-6-5-7-11-20)13-16-8-9-17(19)14(2)12-16/h8-9,12,15,18H,4-7,10-11,13H2,1-3H3
InChIKey
COEXBWSLJZLWTA-UHFFFAOYSA-N
Compound name
1-[1-butan-2-yloxy-2-(4-chloro-3-methylphenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.18594 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19322 175.9
[M+Na]+ 332.17516 179.8
[M-H]- 308.17866 179.5
[M+NH4]+ 327.21976 190.0
[M+K]+ 348.14910 175.1
[M+H-H2O]+ 292.18320 167.9
[M+HCOO]- 354.18414 186.9
[M+CH3COO]- 368.19979 207.3
[M+Na-2H]- 330.16061 174.5
[M]+ 309.18539 175.7
[M]- 309.18649 175.7
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.