CID 216901

3-(thiophen-2-yl)isoxazol-5-amine

Structural Information

Molecular Formula
C7H6N2OS
SMILES
C1=CSC(=C1)C2=NOC(=C2)N
InChI
InChI=1S/C7H6N2OS/c8-7-4-5(9-10-7)6-2-1-3-11-6/h1-4H,8H2
InChIKey
ZXTCNNQAVDHZHL-UHFFFAOYSA-N
Compound name
3-thiophen-2-yl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

166.02008 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.02736 130.5
[M+Na]+ 189.00930 142.7
[M+NH4]+ 184.05390 139.9
[M+K]+ 204.98324 138.9
[M-H]- 165.01280 135.5
[M+Na-2H]- 186.99475 137.7
[M]+ 166.01953 134.1
[M]- 166.02063 134.1
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