CID 6445393

Piperidine, 1-(4-(p-tolyl)-2-butenyl)-, hydrochloride

Structural Information

Molecular Formula
C16H23N
SMILES
CC1=CC=C(C=C1)C/C=C/CN2CCCCC2
InChI
InChI=1S/C16H23N/c1-15-8-10-16(11-9-15)7-3-6-14-17-12-4-2-5-13-17/h3,6,8-11H,2,4-5,7,12-14H2,1H3/b6-3+
InChIKey
FQSVZPYSHKMPHO-ZZXKWVIFSA-N
Compound name
1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.18304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.190316 156.8
[M+Na]+ 252.172258 160.7
[M-H]- 228.175764 160.5
[M+NH4]+ 247.216863 173.1
[M+K]+ 268.146198 156.2
[M+H-H2O]+ 212.180300 148.3
[M+HCOO]- 274.181241 175.1
[M+CH3COO]- 288.196891 191.4
[M+Na-2H]- 250.157706 160.0
[M]+ 229.18249142 152.3
[M]- 229.18358858 152.3
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.