CID 292481

1675-71-4

Structural Information

Molecular Formula

C₁₄H₁₆N₂

SMILES

CC1=C(C(=C(C(=C1CC#N)C)C)CC#N)C

InChI

InChI=1S/C14H16N2/c1-9-10(2)14(6-8-16)12(4)11(3)13(9)5-7-15/h5-6H2,1-4H3

InChIKey

CDHFCWXYLKPCJG-UHFFFAOYSA-N

Compound name

2-[4-(cyanomethyl)-2,3,5,6-tetramethylphenyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 212.13135 Da
Monoisotopic Mass: 2.7
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]+	213.13863	167.0
[M+Na]+	235.12057	176.8
[M+NH4]+	230.16517	168.1
[M+K]+	251.09451	165.8
[M-H]-	211.12407	157.9
[M+Na-2H]-	233.10602	166.7
[M]+	212.13080	164.7
[M]-	212.13190	164.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe