CID 24209787

1-(2,5-dimethyl-1,4-hexadien-1-yl)piperidine

Structural Information

Molecular Formula
C13H23N
SMILES
CC(=CC/C(=C/N1CCCCC1)/C)C
InChI
InChI=1S/C13H23N/c1-12(2)7-8-13(3)11-14-9-5-4-6-10-14/h7,11H,4-6,8-10H2,1-3H3/b13-11+
InChIKey
XIZIWDLCUJHWJK-ACCUITESSA-N
Compound name
1-[(1E)-2,5-dimethylhexa-1,4-dienyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.18304 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 150.4
[M+Na]+ 216.172258 153.2
[M-H]- 192.175764 150.9
[M+NH4]+ 211.216863 168.3
[M+K]+ 232.146198 150.8
[M+H-H2O]+ 176.180300 143.5
[M+HCOO]- 238.181241 166.4
[M+CH3COO]- 252.196891 185.8
[M+Na-2H]- 214.157706 151.0
[M]+ 193.18249142 145.1
[M]- 193.18358858 145.1
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.