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]+ 143.027356 123.9
[M+Na]+ 165.009298 134.3
[M-H]- 141.012804 128.3
[M+NH4]+ 160.053903 147.9
[M+K]+ 180.983238 133.8
[M+H-H2O]+ 125.017340 119.4
[M+HCOO]- 187.018281 143.3
[M+CH3COO]- 201.033931 139.0
[M+Na-2H]- 162.994746 127.7
[M]+ 142.01953142 125.2
[M]- 142.02062858 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.