CID 2125297

3-methoxy-4-(propan-2-yloxy)benzonitrile

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

CC(C)OC1=C(C=C(C=C1)C#N)OC

InChI

InChI=1S/C11H13NO2/c1-8(2)14-10-5-4-9(7-12)6-11(10)13-3/h4-6,8H,1-3H3

InChIKey

CMXCYYYLNXSFAL-UHFFFAOYSA-N

Compound name

3-methoxy-4-propan-2-yloxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 191.09464 Da
Monoisotopic Mass: 2.6
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]+	192.10192	140.4
[M+Na]+	214.08386	152.5
[M+NH4]+	209.12846	145.1
[M+K]+	230.05780	143.6
[M-H]-	190.08736	135.0
[M+Na-2H]-	212.06931	144.2
[M]+	191.09409	139.8
[M]-	191.09519	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe