CID 89905

1-propanone, 1-(2,4-dihydroxyphenyl)-, oxime

Structural Information

Molecular Formula

C₉H₁₁NO₃

SMILES

CCC(=NO)C1=C(C=C(C=C1)O)O

InChI

InChI=1S/C9H11NO3/c1-2-8(10-13)7-4-3-6(11)5-9(7)12/h3-5,11-13H,2H2,1H3

InChIKey

BYURKXUVPLZDSO-UHFFFAOYSA-N

Compound name

4-(C-ethyl-N-hydroxycarbonimidoyl)benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2
Patents: 181.0739 Da
Monoisotopic Mass: 1.6
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]+	182.081176	137.1
[M+Na]+	204.063118	144.6
[M-H]-	180.066624	138.6
[M+NH4]+	199.107723	155.7
[M+K]+	220.037058	142.3
[M+H-H2O]+	164.071160	131.6
[M+HCOO]-	226.072101	159.5
[M+CH3COO]-	240.087751	178.9
[M+Na-2H]-	202.048566	141.9
[M]+	181.07335142	136.1
[M]-	181.07444858	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe