CID 19104727

4-(naphthalen-1-yloxy)butanenitrile

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

C1=CC=C2C(=C1)C=CC=C2OCCCC#N

InChI

InChI=1S/C14H13NO/c15-10-3-4-11-16-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9H,3-4,11H2

InChIKey

OCTKWQHDXPQFBP-UHFFFAOYSA-N

Compound name

4-naphthalen-1-yloxybutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 211.09972 Da
Monoisotopic Mass: 3.7
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]+	212.10700	150.5
[M+Na]+	234.08894	164.2
[M+NH4]+	229.13354	156.5
[M+K]+	250.06288	152.4
[M-H]-	210.09244	146.6
[M+Na-2H]-	232.07439	155.5
[M]+	211.09917	150.7
[M]-	211.10027	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe