CID 3039945

Brn 0511244

Structural Information

Molecular Formula
C5H9N3S2
SMILES
CN(C)C1=NN=C(S1)SC
InChI
InChI=1S/C5H9N3S2/c1-8(2)4-6-7-5(9-3)10-4/h1-3H3
InChIKey
GUBPZHUWKWAQLN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.02379 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.03107 131.7
[M+Na]+ 198.01301 141.9
[M-H]- 174.01651 134.9
[M+NH4]+ 193.05761 152.7
[M+K]+ 213.98695 140.1
[M+H-H2O]+ 158.02105 125.3
[M+HCOO]- 220.02199 146.1
[M+CH3COO]- 234.03764 182.9
[M+Na-2H]- 195.99846 132.5
[M]+ 175.02324 135.9
[M]- 175.02434 135.9
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.