CID 89260045

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

Structural Information

Molecular Formula
C3H2N4S
SMILES
C(#N)C1=NN=C(S1)N
InChI
InChI=1S/C3H2N4S/c4-1-2-6-7-3(5)8-2/h(H2,5,7)
InChIKey
YWGJXGCTEPVJNM-UHFFFAOYSA-N
Compound name
5-amino-1,3,4-thiadiazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

126.000015 Da
Monoisotopic Mass

0.1
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

No literature data available for this compound.

Patent stripe

patents stripe