CID 19593503

5-aminoisothiazole-4-carbonitrile

Structural Information

Molecular Formula
C4H3N3S
SMILES
C1=NSC(=C1C#N)N
InChI
InChI=1S/C4H3N3S/c5-1-3-2-7-8-4(3)6/h2H,6H2
InChIKey
FPERFRLFGKKUDQ-UHFFFAOYSA-N
Compound name
5-amino-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

125.00477 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.01205 125.4
[M+Na]+ 147.99399 137.1
[M-H]- 123.99749 128.2
[M+NH4]+ 143.03859 146.1
[M+K]+ 163.96793 135.2
[M+H-H2O]+ 108.00203 112.9
[M+HCOO]- 170.00297 142.4
[M+CH3COO]- 184.01862 182.8
[M+Na-2H]- 145.97944 128.7
[M]+ 125.00422 120.6
[M]- 125.00532 120.6
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