CID 13266405

4-ethynyl-1-methylpiperidine hydrochloride

Structural Information

Molecular Formula
C8H13N
SMILES
CN1CCC(CC1)C#C
InChI
InChI=1S/C8H13N/c1-3-8-4-6-9(2)7-5-8/h1,8H,4-7H2,2H3
InChIKey
GKSZTGKBJYXEET-UHFFFAOYSA-N
Compound name
4-ethynyl-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 123.4
[M+Na]+ 146.094018 131.9
[M-H]- 122.097524 123.9
[M+NH4]+ 141.138623 142.2
[M+K]+ 162.067958 129.0
[M+H-H2O]+ 106.102060 111.7
[M+HCOO]- 168.103001 137.5
[M+CH3COO]- 182.118651 180.7
[M+Na-2H]- 144.079466 128.2
[M]+ 123.10425142 114.2
[M]- 123.10534858 114.2
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

patents stripe