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]+ 165.13863 140.9
[M+Na]+ 187.12057 150.7
[M+NH4]+ 182.16517 146.7
[M+K]+ 203.09451 139.4
[M-H]- 163.12407 134.6
[M+Na-2H]- 185.10602 144.2
[M]+ 164.13080 139.6
[M]- 164.13190 139.6
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.