CID 84148

3-amino-4,5-dimethylisoxazole

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=C(ON=C1N)C
InChI
InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)
InChIKey
VPANVNSDJSUFEF-UHFFFAOYSA-N
Compound name
4,5-dimethyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

112.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.4
[M+Na]+ 135.05288 131.0
[M+NH4]+ 130.09748 127.8
[M+K]+ 151.02682 128.3
[M-H]- 111.05638 122.1
[M+Na-2H]- 133.03833 124.7
[M]+ 112.06311 121.6
[M]- 112.06421 121.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe