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 136.2
[M+Na]+ 178.06609 145.2
[M-H]- 154.06959 136.1
[M+NH4]+ 173.11069 155.5
[M+K]+ 194.04003 141.4
[M+H-H2O]+ 138.07413 124.5
[M+HCOO]- 200.07507 146.1
[M+CH3COO]- 214.09072 180.1
[M+Na-2H]- 176.05154 136.3
[M]+ 155.07632 129.1
[M]- 155.07742 129.1
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.