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]+ 126.012046 125.4
[M+Na]+ 147.993988 137.1
[M-H]- 123.997494 128.2
[M+NH4]+ 143.038593 146.1
[M+K]+ 163.967928 135.2
[M+H-H2O]+ 108.002030 112.9
[M+HCOO]- 170.002971 142.4
[M+CH3COO]- 184.018621 182.8
[M+Na-2H]- 145.979436 128.7
[M]+ 125.00422142 120.6
[M]- 125.00531858 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