CID 6445393

1-(4-(p-tolyl)-2-butenyl)piperidine 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]+ 230.19032 156.8
[M+Na]+ 252.17226 160.7
[M-H]- 228.17576 160.5
[M+NH4]+ 247.21686 173.1
[M+K]+ 268.14620 156.2
[M+H-H2O]+ 212.18030 148.3
[M+HCOO]- 274.18124 175.1
[M+CH3COO]- 288.19689 191.4
[M+Na-2H]- 250.15771 160.0
[M]+ 229.18249 152.3
[M]- 229.18359 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.