CID 135429857

Ethyl 2-(hydroxyimino)-3-oxo-3-phenylpropionate

Structural Information

Molecular Formula
C11H11NO4
SMILES
CCOC(=O)/C(=C(/C1=CC=CC=C1)\O)/N=O
InChI
InChI=1S/C11H11NO4/c1-2-16-11(14)9(12-15)10(13)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3/b10-9+
InChIKey
ZFHSZJKODSFZBF-MDZDMXLPSA-N
Compound name
ethyl (E)-3-hydroxy-2-nitroso-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

221.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 146.9
[M+Na]+ 244.058018 152.6
[M-H]- 220.061524 150.4
[M+NH4]+ 239.102623 164.4
[M+K]+ 260.031958 152.0
[M+H-H2O]+ 204.066060 140.2
[M+HCOO]- 266.067001 170.4
[M+CH3COO]- 280.082651 189.1
[M+Na-2H]- 242.043466 150.7
[M]+ 221.06825142 148.4
[M]- 221.06934858 148.4
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