CID 12816256

2-methoxy-5-methyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C4H6N2OS
SMILES
CC1=NN=C(S1)OC
InChI
InChI=1S/C4H6N2OS/c1-3-5-6-4(7-2)8-3/h1-2H3
InChIKey
GHMYWMDTOIYYMT-UHFFFAOYSA-N
Compound name
2-methoxy-5-methyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

130.02008 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.02736 121.4
[M+Na]+ 153.00930 132.4
[M-H]- 129.01280 123.5
[M+NH4]+ 148.05390 143.7
[M+K]+ 168.98324 131.6
[M+H-H2O]+ 113.01734 115.5
[M+HCOO]- 175.01828 140.8
[M+CH3COO]- 189.03393 168.8
[M+Na-2H]- 150.99475 125.3
[M]+ 130.01953 125.4
[M]- 130.02063 125.4
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