CID 135993871

Methanone, (2-hydroxy-5-nonylphenyl)phenyl-, oxime

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CCCCCCCCCC1=CC(=C(C=C1)O)/C(=N\O)/C2=CC=CC=C2

InChI

InChI=1S/C22H29NO2/c1-2-3-4-5-6-7-9-12-18-15-16-21(24)20(17-18)22(23-25)19-13-10-8-11-14-19/h8,10-11,13-17,24-25H,2-7,9,12H2,1H3/b23-22-

InChIKey

CROPCLKVTSNPEY-FCQUAONHSA-N

Compound name

2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-4-nonylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 203
Patents: 339.21982 Da
Monoisotopic Mass: 7.8
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]+	340.227096	186.2
[M+Na]+	362.209038	189.8
[M-H]-	338.212544	190.4
[M+NH4]+	357.253643	198.6
[M+K]+	378.182978	184.2
[M+H-H2O]+	322.217080	177.3
[M+HCOO]-	384.218021	207.0
[M+CH3COO]-	398.233671	214.1
[M+Na-2H]-	360.194486	187.2
[M]+	339.21927142	187.7
[M]-	339.22036858	187.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe