CID 21678769

A,a-diisopropylhomoveratronitrile

Structural Information

Molecular Formula

C₁₆H₂₃NO₂

SMILES

CC(C)C(C#N)(C1=CC(=C(C=C1)OC)OC)C(C)C

InChI

InChI=1S/C16H23NO2/c1-11(2)16(10-17,12(3)4)13-7-8-14(18-5)15(9-13)19-6/h7-9,11-12H,1-6H3

InChIKey

VWPDXOUCSSNGRV-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-3-methyl-2-propan-2-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 261.17288 Da
Monoisotopic Mass: 4.0
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]+	262.180156	164.0
[M+Na]+	284.162098	172.2
[M-H]-	260.165604	167.2
[M+NH4]+	279.206703	179.5
[M+K]+	300.136038	170.2
[M+H-H2O]+	244.170140	151.7
[M+HCOO]-	306.171081	180.1
[M+CH3COO]-	320.186731	212.1
[M+Na-2H]-	282.147546	165.3
[M]+	261.17233142	162.8
[M]-	261.17342858	162.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.