CID 92653

Ns00054481

Structural Information

Molecular Formula

C₁₆H₂₅NO₂

SMILES

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

InChI

InChI=1S/C16H25NO2/c1-12(2)7-5-4-6-8-15(17-19)14-10-9-13(3)11-16(14)18/h9-12,18-19H,4-8H2,1-3H3

InChIKey

IMORQTKCNMQKRF-UHFFFAOYSA-N

Compound name

2-[N-hydroxy-C-(6-methylheptyl)carbonimidoyl]-5-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 263.18854 Da
Monoisotopic Mass: 5.1
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]+	264.195816	166.2
[M+Na]+	286.177758	170.9
[M-H]-	262.181264	167.9
[M+NH4]+	281.222363	182.2
[M+K]+	302.151698	167.8
[M+H-H2O]+	246.185800	159.4
[M+HCOO]-	308.186741	186.5
[M+CH3COO]-	322.202391	201.3
[M+Na-2H]-	284.163206	166.4
[M]+	263.18799142	167.5
[M]-	263.18908858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe