CID 67237141

1427207-46-2

Structural Information

Molecular Formula
C9H9N2S2
SMILES
C[N+]1=CC=C(C=C1)C2=CSC(=S)N2
InChI
InChI=1S/C9H8N2S2/c1-11-4-2-7(3-5-11)8-6-13-9(12)10-8/h2-6H,1H3/p+1
InChIKey
KLYZRPWWEZXDGQ-UHFFFAOYSA-O
Compound name
4-(1-methylpyridin-1-ium-4-yl)-3H-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

209.02072 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02800 137.5
[M+Na]+ 232.00994 149.0
[M-H]- 208.01344 141.7
[M+NH4]+ 227.05454 156.0
[M+K]+ 247.98388 137.4
[M+H-H2O]+ 192.01798 134.2
[M+HCOO]- 254.01892 149.8
[M+CH3COO]- 268.03457 173.4
[M+Na-2H]- 229.99539 140.4
[M]+ 209.02017 136.6
[M]- 209.02127 136.6
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