CID 54042443

2172188-51-9

Structural Information

Molecular Formula
C8H13N
SMILES
C#CCC1CCNCC1
InChI
InChI=1S/C8H13N/c1-2-3-8-4-6-9-7-5-8/h1,8-9H,3-7H2
InChIKey
STZDXUXQXGQAHH-UHFFFAOYSA-N
Compound name
4-prop-2-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
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 125.8
[M+Na]+ 146.09402 133.1
[M-H]- 122.09752 124.6
[M+NH4]+ 141.13862 143.6
[M+K]+ 162.06796 129.2
[M+H-H2O]+ 106.10206 114.0
[M+HCOO]- 168.10300 138.5
[M+CH3COO]- 182.11865 177.3
[M+Na-2H]- 144.07947 130.6
[M]+ 123.10425 114.5
[M]- 123.10535 114.5
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