CID 3058775

75606-41-6

Structural Information

Molecular Formula
C7H11NS
SMILES
C#CCCC1NCCS1
InChI
InChI=1S/C7H11NS/c1-2-3-4-7-8-5-6-9-7/h1,7-8H,3-6H2
InChIKey
AWNMZYWNQKGUGS-UHFFFAOYSA-N
Compound name
2-but-3-ynyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.06850 126.7
[M+Na]+ 164.05044 136.2
[M+NH4]+ 159.09504 132.2
[M+K]+ 180.02438 127.2
[M-H]- 140.05394 119.8
[M+Na-2H]- 162.03589 127.9
[M]+ 141.06067 125.5
[M]- 141.06177 125.5
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.