CID 4488433

1-(isoxazol-3-yl)ethanamine

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(C1=NOC=C1)N
InChI
InChI=1S/C5H8N2O/c1-4(6)5-2-3-8-7-5/h2-4H,6H2,1H3
InChIKey
UDFNSNRUEHXXNW-UHFFFAOYSA-N
Compound name
1-(1,2-oxazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

112.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 120.4
[M+Na]+ 135.05288 130.8
[M+NH4]+ 130.09748 128.6
[M+K]+ 151.02682 128.5
[M-H]- 111.05638 122.7
[M+Na-2H]- 133.03833 125.7
[M]+ 112.06311 122.3
[M]- 112.06421 122.3
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