CID 10953780

56536-96-0

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

C1CC(C2=CC=CC=C2C1)C#N

InChI

InChI=1S/C11H11N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-2,4,7,10H,3,5-6H2

InChIKey

HMRIXHRQNXHLSL-UHFFFAOYSA-N

Compound name

1,2,3,4-tetrahydronaphthalene-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 113
Patents: 157.08914 Da
Monoisotopic Mass: 2.5
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]+	158.09642	137.9
[M+Na]+	180.07836	151.0
[M+NH4]+	175.12296	144.9
[M+K]+	196.05230	139.8
[M-H]-	156.08186	134.3
[M+Na-2H]-	178.06381	142.5
[M]+	157.08859	138.1
[M]-	157.08969	138.1

Literature stripe

literature stripe

Patent stripe

patents stripe