CID 11147714

1-(5-methylisoxazol-3-yl)ethanone

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=CC(=NO1)C(=O)C
InChI
InChI=1S/C6H7NO2/c1-4-3-6(5(2)8)7-9-4/h3H,1-2H3
InChIKey
KYVXYWKQFCSMHL-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,2-oxazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

246
Patents

125.047676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 122.5
[M+Na]+ 148.03689 134.3
[M+NH4]+ 143.08150 130.4
[M+K]+ 164.01083 131.8
[M-H]- 124.04040 124.1
[M+Na-2H]- 146.02234 127.6
[M]+ 125.04713 124.4
[M]- 125.04822 124.4
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