CID 11287102

861960-34-1

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

COC1=CC2=C(CCC=C2CC#N)C=C1

InChI

InChI=1S/C13H13NO/c1-15-12-6-5-10-3-2-4-11(7-8-14)13(10)9-12/h4-6,9H,2-3,7H2,1H3

InChIKey

MGJHVZKRAOYORH-UHFFFAOYSA-N

Compound name

2-(7-methoxy-3,4-dihydronaphthalen-1-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 199.09972 Da
Monoisotopic Mass: 2.2
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]+	200.106996	144.4
[M+Na]+	222.088938	155.1
[M-H]-	198.092444	148.3
[M+NH4]+	217.133543	163.0
[M+K]+	238.062878	149.6
[M+H-H2O]+	182.096980	132.1
[M+HCOO]-	244.097921	163.0
[M+CH3COO]-	258.113571	198.3
[M+Na-2H]-	220.074386	150.8
[M]+	199.09917142	140.1
[M]-	199.10026858	140.1

Literature stripe

literature stripe

Patent stripe

patents stripe