CID 9812794

29513-26-6

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1(C(=O)OC(=N1)C=C)C
InChI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InChIKey
QKPKBBFSFQAMIY-UHFFFAOYSA-N
Compound name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2728
Patents

139.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 126.9
[M+Na]+ 162.05254 138.5
[M+NH4]+ 157.09714 135.9
[M+K]+ 178.02648 133.5
[M-H]- 138.05604 128.3
[M+Na-2H]- 160.03799 132.4
[M]+ 139.06277 128.9
[M]- 139.06387 128.9
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