CID 375836

Nsc656084

Structural Information

Molecular Formula
C6H10N2S3
SMILES
CC(C)N1C(=NC)SSC1=S
InChI
InChI=1S/C6H10N2S3/c1-4(2)8-5(7-3)10-11-6(8)9/h4H,1-3H3
InChIKey
UGMXQNSDZDWWPU-UHFFFAOYSA-N
Compound name
5-methylimino-4-propan-2-yl-1,2,4-dithiazolidine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.00061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00789 138.8
[M+Na]+ 228.98983 149.7
[M-H]- 204.99333 142.6
[M+NH4]+ 224.03443 159.6
[M+K]+ 244.96377 144.2
[M+H-H2O]+ 188.99787 133.1
[M+HCOO]- 250.99881 147.8
[M+CH3COO]- 265.01446 187.8
[M+Na-2H]- 226.97528 137.1
[M]+ 206.00006 141.0
[M]- 206.00116 141.0
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.