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]+ 156.08415 135.9
[M+Na]+ 178.06609 145.8
[M-H]- 154.06959 136.2
[M+NH4]+ 173.11069 157.0
[M+K]+ 194.04003 141.6
[M+H-H2O]+ 138.07413 125.1
[M+HCOO]- 200.07507 145.9
[M+CH3COO]- 214.09072 180.3
[M+Na-2H]- 176.05154 137.3
[M]+ 155.07632 129.2
[M]- 155.07742 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.