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]+ 177.138626 145.9
[M+Na]+ 199.120568 155.1
[M-H]- 175.124074 147.8
[M+NH4]+ 194.165173 159.7
[M+K]+ 215.094508 150.2
[M+H-H2O]+ 159.128610 131.6
[M+HCOO]- 221.129551 154.2
[M+CH3COO]- 235.145201 211.3
[M+Na-2H]- 197.106016 148.3
[M]+ 176.13080142 135.9
[M]- 176.13189858 135.9
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.