CID 6913730

1-(3-chloro-4-(p-methoxyphenyl)-2-butenyl)piperidine hydrochloride

Structural Information

Molecular Formula
C16H22ClNO
SMILES
COC1=CC=C(C=C1)C/C(=C/CN2CCCCC2)/Cl
InChI
InChI=1S/C16H22ClNO/c1-19-16-7-5-14(6-8-16)13-15(17)9-12-18-10-3-2-4-11-18/h5-9H,2-4,10-13H2,1H3/b15-9-
InChIKey
STWFFUIXVLMTTB-DHDCSXOGSA-N
Compound name
1-[(Z)-3-chloro-4-(4-methoxyphenyl)but-2-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.13898 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14626 166.7
[M+Na]+ 302.12820 171.1
[M-H]- 278.13170 170.2
[M+NH4]+ 297.17280 181.7
[M+K]+ 318.10214 165.7
[M+H-H2O]+ 262.13624 158.6
[M+HCOO]- 324.13718 179.5
[M+CH3COO]- 338.15283 197.9
[M+Na-2H]- 300.11365 168.2
[M]+ 279.13843 165.1
[M]- 279.13953 165.1
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.