CID 21688992

115443-55-5

Structural Information

Molecular Formula
C4H7N3OS
SMILES
COCC1=NSC(=N1)N
InChI
InChI=1S/C4H7N3OS/c1-8-2-3-6-4(5)9-7-3/h2H2,1H3,(H2,5,6,7)
InChIKey
JZIPHULWBSULRG-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

145.03099 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 127.0
[M+Na]+ 168.02021 137.2
[M+NH4]+ 163.06481 135.1
[M+K]+ 183.99415 132.3
[M-H]- 144.02371 127.7
[M+Na-2H]- 166.00566 131.6
[M]+ 145.03044 128.8
[M]- 145.03154 128.8
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

patents stripe