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]+ 162.015406 127.0
[M+Na]+ 183.997348 137.5
[M-H]- 160.000854 128.2
[M+NH4]+ 179.041953 147.6
[M+K]+ 199.971288 134.0
[M+H-H2O]+ 144.005390 120.9
[M+HCOO]- 206.006331 140.7
[M+CH3COO]- 220.021981 175.9
[M+Na-2H]- 181.982796 127.9
[M]+ 161.00758142 128.5
[M]- 161.00867858 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.