CID 74274

1667-00-1

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

C1CC1CC2=CC=CC=C2

InChI

InChI=1S/C10H12/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5,10H,6-8H2

InChIKey

GUGXBRGATQTAFP-UHFFFAOYSA-N

Compound name

cyclopropylmethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 721
Patents: 132.0939 Da
Monoisotopic Mass: 3.3
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]+	133.10118	124.8
[M+Na]+	155.08312	133.7
[M-H]-	131.08662	132.4
[M+NH4]+	150.12772	141.9
[M+K]+	171.05706	131.4
[M+H-H2O]+	115.09116	118.4
[M+HCOO]-	177.09210	149.7
[M+CH3COO]-	191.10775	176.8
[M+Na-2H]-	153.06857	133.3
[M]+	132.09335	126.1
[M]-	132.09445	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe