CID 60756488

2-(5-methyl-1,3,4-thiadiazol-2-yl)acetonitrile

Structural Information

Molecular Formula
C5H5N3S
SMILES
CC1=NN=C(S1)CC#N
InChI
InChI=1S/C5H5N3S/c1-4-7-8-5(9-4)2-3-6/h2H2,1H3
InChIKey
JSNNLWQVZYQLJS-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3,4-thiadiazol-2-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

139.02042 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.027696 125.8
[M+Na]+ 162.009638 137.9
[M-H]- 138.013144 127.5
[M+NH4]+ 157.054243 145.4
[M+K]+ 177.983578 136.4
[M+H-H2O]+ 122.017680 112.6
[M+HCOO]- 184.018621 141.2
[M+CH3COO]- 198.034271 184.3
[M+Na-2H]- 159.995086 129.2
[M]+ 139.01987142 123.4
[M]- 139.02096858 123.4
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

patents stripe