CID 5325287

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

Structural Information

Molecular Formula
C3H2N4S
SMILES
C(#N)C1=C(SN=N1)N
InChI
InChI=1S/C3H2N4S/c4-1-2-3(5)8-7-6-2/h5H2
InChIKey
TZUDGGZRPMFMRM-UHFFFAOYSA-N
Compound name
5-aminothiadiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

126.000015 Da
Monoisotopic Mass

0.7
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

literature stripe

Patent stripe

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