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

2
Patents

173.02072 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.02800 129.1
[M+Na]+ 196.00994 139.6
[M-H]- 172.01344 131.3
[M+NH4]+ 191.05454 149.7
[M+K]+ 211.98388 131.2
[M+H-H2O]+ 156.01798 126.1
[M+HCOO]- 218.01892 140.9
[M+CH3COO]- 232.03457 170.0
[M+Na-2H]- 193.99539 130.9
[M]+ 173.02017 130.0
[M]- 173.02127 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

No patent data available for this compound.