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]+ 140.02770 125.8
[M+Na]+ 162.00964 137.9
[M-H]- 138.01314 127.5
[M+NH4]+ 157.05424 145.4
[M+K]+ 177.98358 136.4
[M+H-H2O]+ 122.01768 112.6
[M+HCOO]- 184.01862 141.2
[M+CH3COO]- 198.03427 184.3
[M+Na-2H]- 159.99509 129.2
[M]+ 139.01987 123.4
[M]- 139.02097 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