CID 75481759

[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]methanamine

Structural Information

Molecular Formula
C4H7N3S2
SMILES
CSC1=NN=C(S1)CN
InChI
InChI=1S/C4H7N3S2/c1-8-4-7-6-3(2-5)9-4/h2,5H2,1H3
InChIKey
NNNNOFHPMIZNKM-UHFFFAOYSA-N
Compound name
(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.00813 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.01541 127.0
[M+Na]+ 183.99735 137.5
[M-H]- 160.00085 128.2
[M+NH4]+ 179.04195 147.6
[M+K]+ 199.97129 134.0
[M+H-H2O]+ 144.00539 120.9
[M+HCOO]- 206.00633 140.7
[M+CH3COO]- 220.02198 175.9
[M+Na-2H]- 181.98280 127.9
[M]+ 161.00758 128.5
[M]- 161.00868 128.5
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.