CID 29921

Usaf pd-8

Structural Information

Molecular Formula
C4H6N2S3
SMILES
CN=C1N(C(=S)SS1)C
InChI
InChI=1S/C4H6N2S3/c1-5-3-6(2)4(7)9-8-3/h1-2H3
InChIKey
NTBGCUDCUVQJHI-UHFFFAOYSA-N
Compound name
4-methyl-5-methylimino-1,2,4-dithiazolidine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

177.96931 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97659 134.9
[M+Na]+ 200.95853 145.2
[M+NH4]+ 196.00313 144.3
[M+K]+ 216.93247 135.4
[M-H]- 176.96203 137.5
[M+Na-2H]- 198.94398 138.1
[M]+ 177.96876 138.3
[M]- 177.96986 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe