CID 13266405

2230798-28-2

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 123.4
[M+Na]+ 146.09402 131.9
[M-H]- 122.09752 123.9
[M+NH4]+ 141.13862 142.2
[M+K]+ 162.06796 129.0
[M+H-H2O]+ 106.10206 111.7
[M+HCOO]- 168.10300 137.5
[M+CH3COO]- 182.11865 180.7
[M+Na-2H]- 144.07947 128.2
[M]+ 123.10425 114.2
[M]- 123.10535 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