CID 660844

5-(methoxymethyl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C4H7N3OS
SMILES
COCC1=NN=C(S1)N
InChI
InChI=1S/C4H7N3OS/c1-8-2-3-6-7-4(5)9-3/h2H2,1H3,(H2,5,7)
InChIKey
ZLDOCTTXAVVDHG-UHFFFAOYSA-N
Compound name
5-(methoxymethyl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

106
Patents

145.03099 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.03827 125.4
[M+Na]+ 168.02021 135.4
[M-H]- 144.02371 126.8
[M+NH4]+ 163.06481 146.3
[M+K]+ 183.99415 133.9
[M+H-H2O]+ 128.02825 118.9
[M+HCOO]- 190.02919 145.1
[M+CH3COO]- 204.04484 172.8
[M+Na-2H]- 166.00566 128.8
[M]+ 145.03044 127.5
[M]- 145.03154 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe