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

2
References

40
Patents

221.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.9
[M+Na]+ 244.05802 152.6
[M-H]- 220.06152 150.4
[M+NH4]+ 239.10262 164.4
[M+K]+ 260.03196 152.0
[M+H-H2O]+ 204.06606 140.2
[M+HCOO]- 266.06700 170.4
[M+CH3COO]- 280.08265 189.1
[M+Na-2H]- 242.04347 150.7
[M]+ 221.06825 148.4
[M]- 221.06935 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