CID 16458

4-benzylpyridine

Structural Information

Molecular Formula

C₁₂H₁₁N

SMILES

C1=CC=C(C=C1)CC2=CC=NC=C2

InChI

InChI=1S/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2

InChIKey

DBOLXXRVIFGDTI-UHFFFAOYSA-N

Compound name

4-benzylpyridine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 14
References: 1149
Patents: 169.08914 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]+	170.09642	136.1
[M+Na]+	192.07836	152.4
[M+NH4]+	187.12296	146.4
[M+K]+	208.05230	143.3
[M-H]-	168.08186	141.6
[M+Na-2H]-	190.06381	148.1
[M]+	169.08859	140.2
[M]-	169.08969	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe