CID 9256

Thiazole

Structural Information

Molecular Formula
C3H3NS
SMILES
C1=CSC=N1
InChI
InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
InChIKey
FZWLAAWBMGSTSO-UHFFFAOYSA-N
Compound name
1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

35622
References

178724
Patents

84.99862 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.005896 110.3
[M+Na]+ 107.987838 120.0
[M-H]- 83.991344 113.3
[M+NH4]+ 103.032443 135.1
[M+K]+ 123.961778 119.4
[M+H-H2O]+ 67.995880 105.0
[M+HCOO]- 129.996821 131.1
[M+CH3COO]- 144.012471 159.1
[M+Na-2H]- 105.973286 116.2
[M]+ 84.99807142 111.2
[M]- 84.99916858 111.2
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