CID 177798252

3-(but-3-yn-2-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C8H13N
SMILES
CC(C#C)C1CCNC1
InChI
InChI=1S/C8H13N/c1-3-7(2)8-4-5-9-6-8/h1,7-9H,4-6H2,2H3
InChIKey
YRXMLCHJCKGESL-UHFFFAOYSA-N
Compound name
3-but-3-yn-2-ylpyrrolidine
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 128.4
[M+Na]+ 146.094018 136.3
[M-H]- 122.097524 127.4
[M+NH4]+ 141.138623 147.7
[M+K]+ 162.067958 132.8
[M+H-H2O]+ 106.102060 116.3
[M+HCOO]- 168.103001 142.0
[M+CH3COO]- 182.118651 177.9
[M+Na-2H]- 144.079466 130.6
[M]+ 123.10425142 118.3
[M]- 123.10534858 118.3
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.