CID 6138554

4974-23-6

Structural Information

Molecular Formula
C6H7NO2
SMILES
C/C=C/1\C(=O)OC(=N1)C
InChI
InChI=1S/C6H7NO2/c1-3-5-6(8)9-4(2)7-5/h3H,1-2H3/b5-3+
InChIKey
OLVJRXINPGVCMV-HWKANZROSA-N
Compound name
(4E)-4-ethylidene-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

125.047676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 120.9
[M+Na]+ 148.036894 131.1
[M-H]- 124.040400 124.5
[M+NH4]+ 143.081499 142.9
[M+K]+ 164.010834 131.1
[M+H-H2O]+ 108.044936 115.9
[M+HCOO]- 170.045877 144.4
[M+CH3COO]- 184.061527 169.1
[M+Na-2H]- 146.022342 127.1
[M]+ 125.04712742 122.3
[M]- 125.04822458 122.3
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