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 136.9
[M+Na]+ 187.12057 144.3
[M-H]- 163.12407 137.0
[M+NH4]+ 182.16517 155.3
[M+K]+ 203.09451 139.9
[M+H-H2O]+ 147.12861 124.9
[M+HCOO]- 209.12955 151.4
[M+CH3COO]- 223.14520 188.2
[M+Na-2H]- 185.10602 142.3
[M]+ 164.13080 126.9
[M]- 164.13190 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.