CID 23165058

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

Structural Information

Molecular Formula
C4H3N3S
SMILES
C1=C(N=NS1)CC#N
InChI
InChI=1S/C4H3N3S/c5-2-1-4-3-8-7-6-4/h3H,1H2
InChIKey
QFBSJVJUFWUZPZ-UHFFFAOYSA-N
Compound name
2-(thiadiazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

125.00477 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.012046 122.2
[M+Na]+ 147.993988 133.8
[M-H]- 123.997494 123.6
[M+NH4]+ 143.038593 141.9
[M+K]+ 163.967928 132.5
[M+H-H2O]+ 108.002030 108.8
[M+HCOO]- 170.002971 137.8
[M+CH3COO]- 184.018621 180.7
[M+Na-2H]- 145.979436 126.6
[M]+ 125.00422142 119.0
[M]- 125.00531858 119.0
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