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]+ 126.05495 120.9
[M+Na]+ 148.03689 131.1
[M-H]- 124.04040 124.5
[M+NH4]+ 143.08150 142.9
[M+K]+ 164.01083 131.1
[M+H-H2O]+ 108.04494 115.9
[M+HCOO]- 170.04588 144.4
[M+CH3COO]- 184.06153 169.1
[M+Na-2H]- 146.02234 127.1
[M]+ 125.04713 122.3
[M]- 125.04822 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

No patent data available for this compound.