CID 336652

1-(prop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula
C8H13N
SMILES
C#CCN1CCCCC1
InChI
InChI=1S/C8H13N/c1-2-6-9-7-4-3-5-8-9/h1H,3-8H2
InChIKey
LQSQLFOKTMSBEC-UHFFFAOYSA-N
Compound name
1-prop-2-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

439
Patents

123.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 124.0
[M+Na]+ 146.09402 131.6
[M-H]- 122.09752 124.1
[M+NH4]+ 141.13862 142.4
[M+K]+ 162.06796 128.6
[M+H-H2O]+ 106.10206 111.9
[M+HCOO]- 168.10300 138.0
[M+CH3COO]- 182.11865 179.8
[M+Na-2H]- 144.07947 129.4
[M]+ 123.10425 114.4
[M]- 123.10535 114.4
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