CID 3003602

Nsc687618

Structural Information

Molecular Formula
C6H8N2S3
SMILES
CSC(=C(C#N)C(=S)N)SC
InChI
InChI=1S/C6H8N2S3/c1-10-6(11-2)4(3-7)5(8)9/h1-2H3,(H2,8,9)
InChIKey
HNTXYZSTHBEZFG-UHFFFAOYSA-N
Compound name
2-cyano-3,3-bis(methylsulfanyl)prop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.98495 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99223 151.2
[M+Na]+ 226.97417 158.7
[M-H]- 202.97767 151.9
[M+NH4]+ 222.01877 167.9
[M+K]+ 242.94811 155.2
[M+H-H2O]+ 186.98221 139.4
[M+HCOO]- 248.98315 152.2
[M+CH3COO]- 262.99880 198.5
[M+Na-2H]- 224.95962 147.8
[M]+ 203.98440 144.9
[M]- 203.98550 144.9
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.