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

12
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 130.4
[M+Na]+ 200.95853 142.6
[M-H]- 176.96203 134.5
[M+NH4]+ 196.00313 152.3
[M+K]+ 216.93247 137.1
[M+H-H2O]+ 160.96657 125.0
[M+HCOO]- 222.96751 141.1
[M+CH3COO]- 236.98316 181.3
[M+Na-2H]- 198.94398 130.2
[M]+ 177.96876 132.4
[M]- 177.96986 132.4
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