CID 130516864

4-(but-3-en-1-yl)piperidine-4-carbonitrile hydrochloride

Structural Information

Molecular Formula
C10H16N2
SMILES
C=CCCC1(CCNCC1)C#N
InChI
InChI=1S/C10H16N2/c1-2-3-4-10(9-11)5-7-12-8-6-10/h2,12H,1,3-8H2
InChIKey
SHESFBTVDNRRKW-UHFFFAOYSA-N
Compound name
4-but-3-enylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.13135 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.138626 136.9
[M+Na]+ 187.120568 144.3
[M-H]- 163.124074 137.0
[M+NH4]+ 182.165173 155.3
[M+K]+ 203.094508 139.9
[M+H-H2O]+ 147.128610 124.9
[M+HCOO]- 209.129551 151.4
[M+CH3COO]- 223.145201 188.2
[M+Na-2H]- 185.106016 142.3
[M]+ 164.13080142 126.9
[M]- 164.13189858 126.9
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.