CID 10870

Isobutylbenzene

Structural Information

Molecular Formula

C₁₀H₁₄

SMILES

CC(C)CC1=CC=CC=C1

InChI

InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

KXUHSQYYJYAXGZ-UHFFFAOYSA-N

Compound name

2-methylpropylbenzene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 26
References: 17805
Patents: 134.10954 Da
Monoisotopic Mass: 3.9
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]+	135.11682	128.9
[M+Na]+	157.09876	142.5
[M+NH4]+	152.14336	139.0
[M+K]+	173.07270	134.9
[M-H]-	133.10226	132.3
[M+Na-2H]-	155.08421	137.3
[M]+	134.10899	131.9
[M]-	134.11009	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe