CID 318418

23012-25-1

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=C(OC(=N1)C)C(=O)C
InChI
InChI=1S/C7H9NO2/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
InChIKey
YJWCNOMJKJYKLQ-UHFFFAOYSA-N
Compound name
1-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

106
Patents

139.06332 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.6
[M+Na]+ 162.05254 138.7
[M+NH4]+ 157.09714 134.4
[M+K]+ 178.02648 136.1
[M-H]- 138.05604 128.3
[M+Na-2H]- 160.03799 131.2
[M]+ 139.06277 128.7
[M]- 139.06387 128.7
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