CID 3058774

75606-40-5

Structural Information

Molecular Formula
C8H13NS
SMILES
CC#CCCC1NCCS1
InChI
InChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h8-9H,4-7H2,1H3
InChIKey
IQQMFMPZNGYKNM-UHFFFAOYSA-N
Compound name
2-pent-3-ynyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.07687 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.08415 130.8
[M+Na]+ 178.06609 140.1
[M+NH4]+ 173.11069 136.1
[M+K]+ 194.04003 130.9
[M-H]- 154.06959 123.8
[M+Na-2H]- 176.05154 131.7
[M]+ 155.07632 129.5
[M]- 155.07742 129.5
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.