CID 9570661

2,3-dioxobutyric acid 2-methyloxime ethyl ester

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]+ 174.07608 134.9
[M+Na]+ 196.05802 141.5
[M-H]- 172.06152 136.7
[M+NH4]+ 191.10262 155.4
[M+K]+ 212.03196 143.4
[M+H-H2O]+ 156.06606 129.4
[M+HCOO]- 218.06700 159.5
[M+CH3COO]- 232.08265 184.2
[M+Na-2H]- 194.04347 138.6
[M]+ 173.06825 139.3
[M]- 173.06935 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