CID 4713119

1024284-51-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
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

literature stripe

Patent stripe

patents stripe