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

2
Patents

126.000015 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.007291 123.0
[M+Na]+ 148.989233 134.7
[M-H]- 124.992739 124.2
[M+NH4]+ 144.033838 142.2
[M+K]+ 164.963173 133.3
[M+H-H2O]+ 108.997275 109.6
[M+HCOO]- 170.998216 139.0
[M+CH3COO]- 185.013866 182.6
[M+Na-2H]- 146.974681 126.6
[M]+ 125.99946642 118.1
[M]- 126.00056358 118.1
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

patents stripe