CID 77119

2-(allylthio)-2-thiazoline

Structural Information

Molecular Formula
C6H9NS2
SMILES
C=CCSC1=NCCS1
InChI
InChI=1S/C6H9NS2/c1-2-4-8-6-7-3-5-9-6/h2H,1,3-5H2
InChIKey
HOULSWDLZNLUIV-UHFFFAOYSA-N
Compound name
2-prop-2-enylsulfanyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

252
Patents

159.01764 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.024916 130.2
[M+Na]+ 182.006858 139.3
[M-H]- 158.010364 132.7
[M+NH4]+ 177.051463 152.6
[M+K]+ 197.980798 136.1
[M+H-H2O]+ 142.014900 124.9
[M+HCOO]- 204.015841 143.1
[M+CH3COO]- 218.031491 173.0
[M+Na-2H]- 179.992306 130.3
[M]+ 159.01709142 131.4
[M]- 159.01818858 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe