CID 9079023

4h,6h-thieno[3,4-c]isoxazol-3-amine

Structural Information

Molecular Formula
C5H6N2OS
SMILES
C1C2=C(ON=C2CS1)N
InChI
InChI=1S/C5H6N2OS/c6-5-3-1-9-2-4(3)7-8-5/h1-2,6H2
InChIKey
AJGJMXCWYPBNBJ-UHFFFAOYSA-N
Compound name
4,6-dihydrothieno[3,4-c][1,2]oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.02008 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 123.9
[M+Na]+ 165.00930 134.3
[M-H]- 141.01280 128.3
[M+NH4]+ 160.05390 147.9
[M+K]+ 180.98324 133.8
[M+H-H2O]+ 125.01734 119.4
[M+HCOO]- 187.01828 143.3
[M+CH3COO]- 201.03393 139.0
[M+Na-2H]- 162.99475 127.7
[M]+ 142.01953 125.2
[M]- 142.02063 125.2
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

No patent data available for this compound.