CID 9570661

Ethyl (2e)-2-(methoxyimino)-3-oxobutanoate

Structural Information

Molecular Formula
C7H11NO4
SMILES
CCOC(=O)/C(=N/OC)/C(=O)C
InChI
InChI=1S/C7H11NO4/c1-4-12-7(10)6(5(2)9)8-11-3/h4H2,1-3H3/b8-6+
InChIKey
HASOOENYFDJEAK-SOFGYWHQSA-N
Compound name
ethyl (2E)-2-methoxyimino-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 134.9
[M+Na]+ 196.058018 141.5
[M-H]- 172.061524 136.7
[M+NH4]+ 191.102623 155.4
[M+K]+ 212.031958 143.4
[M+H-H2O]+ 156.066060 129.4
[M+HCOO]- 218.067001 159.5
[M+CH3COO]- 232.082651 184.2
[M+Na-2H]- 194.043466 138.6
[M]+ 173.06825142 139.3
[M]- 173.06934858 139.3
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