CID 136652

825-54-7

Structural Information

Molecular Formula

C₁₁H₁₂

SMILES

C1CC=C(C1)C2=CC=CC=C2

InChI

InChI=1S/C11H12/c1-2-6-10(7-3-1)11-8-4-5-9-11/h1-3,6-8H,4-5,9H2

InChIKey

CXMYOMKBXNPDIW-UHFFFAOYSA-N

Compound name

cyclopenten-1-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 265
Patents: 144.0939 Da
Monoisotopic Mass: 4.0
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]+	145.10118	131.0
[M+Na]+	167.08312	144.7
[M+NH4]+	162.12772	141.9
[M+K]+	183.05706	138.1
[M-H]-	143.08662	136.2
[M+Na-2H]-	165.06857	140.8
[M]+	144.09335	134.5
[M]-	144.09445	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe