CID 70036

Benzyl p-tolyl ether

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

CC1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C14H14O/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChIKey

CHBXCQHBCCLICW-UHFFFAOYSA-N

Compound name

1-methyl-4-phenylmethoxybenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1618
Patents: 198.10446 Da
Monoisotopic Mass: 4.2
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]+	199.11174	143.8
[M+Na]+	221.09368	159.8
[M+NH4]+	216.13828	154.0
[M+K]+	237.06762	150.7
[M-H]-	197.09718	149.6
[M+Na-2H]-	219.07913	155.0
[M]+	198.10391	148.0
[M]-	198.10501	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe