CID 112703919

3-(but-3-yn-1-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C8H13N
SMILES
C#CCCC1CCNC1
InChI
InChI=1S/C8H13N/c1-2-3-4-8-5-6-9-7-8/h1,8-9H,3-7H2
InChIKey
RRZGYSNXVFTQEP-UHFFFAOYSA-N
Compound name
3-but-3-ynylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.9
[M+Na]+ 146.094018 135.1
[M-H]- 122.097524 125.9
[M+NH4]+ 141.138623 146.3
[M+K]+ 162.067958 131.2
[M+H-H2O]+ 106.102060 114.8
[M+HCOO]- 168.103001 141.5
[M+CH3COO]- 182.118651 177.2
[M+Na-2H]- 144.079466 130.3
[M]+ 123.10425142 117.5
[M]- 123.10534858 117.5
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

No patent data available for this compound.