CID 6447464

Trans-2-(3-pentenyl)thiazolidine

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]+ 158.09979 136.1
[M+Na]+ 180.08173 142.4
[M-H]- 156.08523 136.5
[M+NH4]+ 175.12633 157.5
[M+K]+ 196.05567 139.3
[M+H-H2O]+ 140.08977 130.4
[M+HCOO]- 202.09071 151.1
[M+CH3COO]- 216.10636 171.6
[M+Na-2H]- 178.06718 136.4
[M]+ 157.09196 133.7
[M]- 157.09306 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.