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

55
Patents

123.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.112076 125.8
[M+Na]+ 146.094018 133.1
[M-H]- 122.097524 124.6
[M+NH4]+ 141.138623 143.6
[M+K]+ 162.067958 129.2
[M+H-H2O]+ 106.102060 114.0
[M+HCOO]- 168.103001 138.5
[M+CH3COO]- 182.118651 177.3
[M+Na-2H]- 144.079466 130.6
[M]+ 123.10425142 114.5
[M]- 123.10534858 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