CID 6447466

75606-57-4

Structural Information

Molecular Formula
C9H17NS
SMILES
C/C=C/CCC1(NCCS1)C
InChI
InChI=1S/C9H17NS/c1-3-4-5-6-9(2)10-7-8-11-9/h3-4,10H,5-8H2,1-2H3/b4-3+
InChIKey
NUWRRQVAYLJYHI-ONEGZZNKSA-N
Compound name
2-methyl-2-[(E)-pent-3-enyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.10817 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.115446 139.2
[M+Na]+ 194.097388 145.7
[M-H]- 170.100894 139.6
[M+NH4]+ 189.141993 161.9
[M+K]+ 210.071328 142.6
[M+H-H2O]+ 154.105430 134.2
[M+HCOO]- 216.106371 153.8
[M+CH3COO]- 230.122021 174.1
[M+Na-2H]- 192.082836 140.3
[M]+ 171.10762142 137.5
[M]- 171.10871858 137.5
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.