CID 13969144

53062-92-3

Structural Information

Molecular Formula
C4H5NS2
SMILES
C1=CSC(=N1)CS
InChI
InChI=1S/C4H5NS2/c6-3-4-5-1-2-7-4/h1-2,6H,3H2
InChIKey
GSDVPNMCNDFOEZ-UHFFFAOYSA-N
Compound name
1,3-thiazol-2-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

130.98634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.99362 120.2
[M+Na]+ 153.97556 130.8
[M-H]- 129.97906 123.3
[M+NH4]+ 149.02016 143.7
[M+K]+ 169.94950 128.4
[M+H-H2O]+ 113.98360 115.1
[M+HCOO]- 175.98454 134.9
[M+CH3COO]- 190.00019 168.4
[M+Na-2H]- 151.96101 122.1
[M]+ 130.98579 122.8
[M]- 130.98689 122.8
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

patents stripe