CID 3058778

75606-48-3

Structural Information

Molecular Formula
C8H15NS
SMILES
CC1(NCCS1)CCC=C
InChI
InChI=1S/C8H15NS/c1-3-4-5-8(2)9-6-7-10-8/h3,9H,1,4-7H2,2H3
InChIKey
SIHPZJOASJTCEC-UHFFFAOYSA-N
Compound name
2-but-3-enyl-2-methyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.09251 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 134.6
[M+Na]+ 180.081728 141.5
[M-H]- 156.085234 135.2
[M+NH4]+ 175.126333 157.9
[M+K]+ 196.055668 138.6
[M+H-H2O]+ 140.089770 129.8
[M+HCOO]- 202.090711 149.5
[M+CH3COO]- 216.106361 171.8
[M+Na-2H]- 178.067176 136.3
[M]+ 157.09196142 132.6
[M]- 157.09305858 132.6
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.