CID 118964

36380-97-9

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CC1=CC(=C(C=C1)C(=NO)C)O

InChI

InChI=1S/C9H11NO2/c1-6-3-4-8(7(2)10-12)9(11)5-6/h3-5,11-12H,1-2H3

InChIKey

OKHFHYLUACAYPT-UHFFFAOYSA-N

Compound name

2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 165.07898 Da
Monoisotopic Mass: 1.9
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]+	166.08626	133.4
[M+Na]+	188.06820	141.5
[M-H]-	164.07170	136.4
[M+NH4]+	183.11280	153.5
[M+K]+	204.04214	139.6
[M+H-H2O]+	148.07624	128.1
[M+HCOO]-	210.07718	157.2
[M+CH3COO]-	224.09283	179.2
[M+Na-2H]-	186.05365	138.8
[M]+	165.07843	132.9
[M]-	165.07953	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe