CID 131106312

1882002-98-3

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1(CCCN(C1)CCC#C)C#N
InChI
InChI=1S/C11H16N2/c1-3-4-7-13-8-5-6-11(2,9-12)10-13/h1H,4-8,10H2,2H3
InChIKey
ALNMOAOJUCXPOU-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3-methylpiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 163.4
[M+Na]+ 199.12057 171.5
[M+NH4]+ 194.16517 165.1
[M+K]+ 215.09451 159.8
[M-H]- 175.12407 152.9
[M+Na-2H]- 197.10602 162.8
[M]+ 176.13080 160.4
[M]- 176.13190 160.4
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.