CID 4518523

4-ethylidene-2-methyl-2-oxazolin-5-one

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC=C1C(=O)OC(=N1)C
InChI
InChI=1S/C6H7NO2/c1-3-5-6(8)9-4(2)7-5/h3H,1-2H3
InChIKey
OLVJRXINPGVCMV-UHFFFAOYSA-N
Compound name
4-ethylidene-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

125.047676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 123.3
[M+Na]+ 148.03689 135.0
[M+NH4]+ 143.08150 131.0
[M+K]+ 164.01083 131.9
[M-H]- 124.04040 124.7
[M+Na-2H]- 146.02234 127.5
[M]+ 125.04713 125.1
[M]- 125.04822 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

No literature data available for this compound.

Patent stripe

patents stripe