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

71
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 128.4
[M+Na]+ 146.09402 140.0
[M+NH4]+ 141.13862 134.0
[M+K]+ 162.06796 130.5
[M-H]- 122.09752 122.4
[M+Na-2H]- 144.07947 131.3
[M]+ 123.10425 127.5
[M]- 123.10535 127.5
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