CID 20318346

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

Structural Information

Molecular Formula
C3H2N4S
SMILES
C(#N)C1=NSC(=N1)N
InChI
InChI=1S/C3H2N4S/c4-1-2-6-3(5)8-7-2/h(H2,5,6,7)
InChIKey
OFBZOTKTWQTGKC-UHFFFAOYSA-N
Compound name
5-amino-1,2,4-thiadiazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.000015 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.00729 120.0
[M+Na]+ 148.98923 130.2
[M+NH4]+ 144.03384 124.9
[M+K]+ 164.96317 122.5
[M-H]- 124.99274 113.8
[M+Na-2H]- 146.97468 123.0
[M]+ 125.99947 119.0
[M]- 126.00056 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

No patent data available for this compound.