CID 165941381

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

Structural Information

Molecular Formula
C5H9N3OS
SMILES
COCC1=NSC(=N1)CN
InChI
InChI=1S/C5H9N3OS/c1-9-3-4-7-5(2-6)10-8-4/h2-3,6H2,1H3
InChIKey
XXKMQOQRSOZTIM-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.04663 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 131.3
[M+Na]+ 182.03585 141.3
[M+NH4]+ 177.08045 139.2
[M+K]+ 198.00979 136.2
[M-H]- 158.03935 132.0
[M+Na-2H]- 180.02130 135.7
[M]+ 159.04608 133.1
[M]- 159.04718 133.1
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.