CID 9570622

2,3-hexanedione, 2-oxime

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CCCC(=O)/C(=N/O)/C

InChI

InChI=1S/C6H11NO2/c1-3-4-6(8)5(2)7-9/h9H,3-4H2,1-2H3/b7-5+

InChIKey

YACQJJJPEQXXHC-FNORWQNLSA-N

Compound name

(2E)-2-hydroxyiminohexan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 129.07898 Da
Monoisotopic Mass: 1.2
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]+	130.08626	127.7
[M+Na]+	152.06820	136.4
[M+NH4]+	147.11280	134.6
[M+K]+	168.04214	132.3
[M-H]-	128.07170	126.6
[M+Na-2H]-	150.05365	130.5
[M]+	129.07843	128.1
[M]-	129.07953	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe