CID 6447464

75606-39-2

Structural Information

Molecular Formula
C8H15NS
SMILES
C/C=C/CCC1NCCS1
InChI
InChI=1S/C8H15NS/c1-2-3-4-5-8-9-6-7-10-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKey
AWFQPUBEUUGVKO-NSCUHMNNSA-N
Compound name
2-[(E)-pent-3-enyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.09251 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.099786 136.1
[M+Na]+ 180.081728 142.4
[M-H]- 156.085234 136.5
[M+NH4]+ 175.126333 157.5
[M+K]+ 196.055668 139.3
[M+H-H2O]+ 140.089770 130.4
[M+HCOO]- 202.090711 151.1
[M+CH3COO]- 216.106361 171.6
[M+Na-2H]- 178.067176 136.4
[M]+ 157.09196142 133.7
[M]- 157.09305858 133.7
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.