CID 9578407

4-methyl-2,3-pentanedione 2-oxime

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC(C)C(=O)/C(=N\O)/C

InChI

InChI=1S/C6H11NO2/c1-4(2)6(8)5(3)7-9/h4,9H,1-3H3/b7-5-

InChIKey

SNAKZQGNQQFDCV-ALCCZGGFSA-N

Compound name

(2Z)-2-hydroxyimino-4-methylpentan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 129.07898 Da
Monoisotopic Mass: 1.4
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	127.2
[M+Na]+	152.06820	133.5
[M-H]-	128.07170	127.8
[M+NH4]+	147.11280	148.9
[M+K]+	168.04214	134.4
[M+H-H2O]+	112.07624	122.5
[M+HCOO]-	174.07718	149.9
[M+CH3COO]-	188.09283	176.0
[M+Na-2H]-	150.05365	130.7
[M]+	129.07843	127.1
[M]-	129.07953	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe