CID 18687

3290-53-7

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

CC(=C)CC1=CC=CC=C1

InChI

InChI=1S/C10H12/c1-9(2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3

InChIKey

MXTNFIYGTWARIN-UHFFFAOYSA-N

Compound name

2-methylprop-2-enylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2995
Patents: 132.0939 Da
Monoisotopic Mass: 3.6
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]+	133.10118	126.9
[M+Na]+	155.08312	134.0
[M-H]-	131.08662	130.5
[M+NH4]+	150.12772	148.9
[M+K]+	171.05706	131.9
[M+H-H2O]+	115.09116	121.7
[M+HCOO]-	177.09210	150.4
[M+CH3COO]-	191.10775	174.5
[M+Na-2H]-	153.06857	133.6
[M]+	132.09335	125.9
[M]-	132.09445	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe