CID 3058779

75606-49-4

Structural Information

Molecular Formula
C8H13NS
SMILES
CC1(NCCS1)CCC#C
InChI
InChI=1S/C8H13NS/c1-3-4-5-8(2)9-6-7-10-8/h1,9H,4-7H2,2H3
InChIKey
FXRNBPCZRLQJDN-UHFFFAOYSA-N
Compound name
2-but-3-ynyl-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.07687 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.084146 135.9
[M+Na]+ 178.066088 145.8
[M-H]- 154.069594 136.2
[M+NH4]+ 173.110693 157.0
[M+K]+ 194.040028 141.6
[M+H-H2O]+ 138.074130 125.1
[M+HCOO]- 200.075071 145.9
[M+CH3COO]- 214.090721 180.3
[M+Na-2H]- 176.051536 137.3
[M]+ 155.07632142 129.2
[M]- 155.07741858 129.2
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.