CID 20833

5-isopropyl-m-xylene

Structural Information

Molecular Formula

C₁₁H₁₆

SMILES

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

InChI

InChI=1S/C11H16/c1-8(2)11-6-9(3)5-10(4)7-11/h5-8H,1-4H3

InChIKey

RMKJTYPFCFNTGQ-UHFFFAOYSA-N

Compound name

1,3-dimethyl-5-propan-2-ylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1170
Patents: 148.1252 Da
Monoisotopic Mass: 3.8
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]+	149.13248	132.4
[M+Na]+	171.11442	146.6
[M+NH4]+	166.15902	142.4
[M+K]+	187.08836	139.2
[M-H]-	147.11792	135.9
[M+Na-2H]-	169.09987	140.1
[M]+	148.12465	135.6
[M]-	148.12575	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe