CID 12816255

2-methoxy-1,3,4-thiadiazole

Structural Information

Molecular Formula
C3H4N2OS
SMILES
COC1=NN=CS1
InChI
InChI=1S/C3H4N2OS/c1-6-3-5-4-2-7-3/h2H,1H3
InChIKey
VIZIACHUGMBQRP-UHFFFAOYSA-N
Compound name
2-methoxy-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

116.00443 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.01171 117.2
[M+Na]+ 138.99365 127.8
[M-H]- 114.99715 119.1
[M+NH4]+ 134.03825 139.8
[M+K]+ 154.96759 127.3
[M+H-H2O]+ 99.001690 111.2
[M+HCOO]- 161.00263 137.0
[M+CH3COO]- 175.01828 164.8
[M+Na-2H]- 136.97910 122.3
[M]+ 116.00388 120.4
[M]- 116.00498 120.4
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