CID 6912166

Ns00064520

Structural Information

Molecular Formula

C₁₁H₁₃NO₄

SMILES

CC(=NO)C(=O)C1=C(C=CC(=C1)OC)OC

InChI

InChI=1S/C11H13NO4/c1-7(12-14)11(13)9-6-8(15-2)4-5-10(9)16-3/h4-6,14H,1-3H3

InChIKey

CLMOUULSNFEJKR-UHFFFAOYSA-N

Compound name

1-(2,5-dimethoxyphenyl)-2-hydroxyiminopropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.08446 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.091736	146.5
[M+Na]+	246.073678	154.0
[M-H]-	222.077184	150.6
[M+NH4]+	241.118283	164.7
[M+K]+	262.047618	153.6
[M+H-H2O]+	206.081720	140.2
[M+HCOO]-	268.082661	170.8
[M+CH3COO]-	282.098311	192.1
[M+Na-2H]-	244.059126	150.2
[M]+	223.08391142	150.2
[M]-	223.08500858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe