CID 9812794

4,4-dimethyl-2-vinyl-2-oxazolin-5-one

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

2795
Patents

139.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 122.9
[M+Na]+ 162.052538 133.5
[M-H]- 138.056044 126.7
[M+NH4]+ 157.097143 146.3
[M+K]+ 178.026478 133.4
[M+H-H2O]+ 122.060580 118.7
[M+HCOO]- 184.061521 146.1
[M+CH3COO]- 198.077171 172.4
[M+Na-2H]- 160.037986 130.0
[M]+ 139.06277142 125.1
[M]- 139.06386858 125.1
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