CID 5246250

4-ethynylpiperidine hydrochloride

Structural Information

Molecular Formula
C7H11N
SMILES
C#CC1CCNCC1
InChI
InChI=1S/C7H11N/c1-2-7-3-5-8-6-4-7/h1,7-8H,3-6H2
InChIKey
FWOORBMXLUBSEV-UHFFFAOYSA-N
Compound name
4-ethynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

109.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 126.5
[M+Na]+ 132.07837 137.3
[M+NH4]+ 127.12297 131.9
[M+K]+ 148.05231 128.0
[M-H]- 108.08187 119.9
[M+Na-2H]- 130.06382 129.1
[M]+ 109.08860 125.2
[M]- 109.08970 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe