CID 11171696

124276-97-7

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

COC1=CC(=CC(=C1)C2(CC2)C#N)OC

InChI

InChI=1S/C12H13NO2/c1-14-10-5-9(6-11(7-10)15-2)12(8-13)3-4-12/h5-7H,3-4H2,1-2H3

InChIKey

XCYWJDMZLIYLOV-UHFFFAOYSA-N

Compound name

1-(3,5-dimethoxyphenyl)cyclopropane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.09464 Da
Monoisotopic Mass: 1.9
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]+	204.101916	141.0
[M+Na]+	226.083858	157.8
[M-H]-	202.087364	150.2
[M+NH4]+	221.128463	157.8
[M+K]+	242.057798	151.6
[M+H-H2O]+	186.091900	132.0
[M+HCOO]-	248.092841	163.4
[M+CH3COO]-	262.108491	200.2
[M+Na-2H]-	224.069306	149.2
[M]+	203.09409142	143.5
[M]-	203.09518858	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe