CID 12816272

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

Structural Information

Molecular Formula
C4H3N3OS
SMILES
COC1=NN=C(S1)C#N
InChI
InChI=1S/C4H3N3OS/c1-8-4-7-6-3(2-5)9-4/h1H3
InChIKey
LGOPLUYHMXDOAS-UHFFFAOYSA-N
Compound name
5-methoxy-1,3,4-thiadiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.99968 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.00696 124.5
[M+Na]+ 163.98890 136.7
[M-H]- 139.99240 126.3
[M+NH4]+ 159.03350 143.9
[M+K]+ 179.96284 135.9
[M+H-H2O]+ 123.99694 111.3
[M+HCOO]- 185.99788 140.3
[M+CH3COO]- 200.01353 183.4
[M+Na-2H]- 161.97435 128.4
[M]+ 140.99913 122.9
[M]- 141.00023 122.9
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.