CID 10924557

262350-35-6

Structural Information

Molecular Formula
C6H9N2S2
SMILES
C[N+]1=CN(C=C1)C(=S)SC
InChI
InChI=1S/C6H9N2S2/c1-7-3-4-8(5-7)6(9)10-2/h3-5H,1-2H3/q+1
InChIKey
PPMVWSVYKALIGF-UHFFFAOYSA-N
Compound name
methyl 3-methylimidazol-3-ium-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

173.02072 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.027996 129.1
[M+Na]+ 196.009938 139.6
[M-H]- 172.013444 131.3
[M+NH4]+ 191.054543 149.7
[M+K]+ 211.983878 131.2
[M+H-H2O]+ 156.017980 126.1
[M+HCOO]- 218.018921 140.9
[M+CH3COO]- 232.034571 170.0
[M+Na-2H]- 193.995386 130.9
[M]+ 173.02017142 130.0
[M]- 173.02126858 130.0
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