CID 3084792

[(2r)-2-methylbutyl]benzene

Structural Information

Molecular Formula

C₁₁H₁₆

SMILES

CC[C@@H](C)CC1=CC=CC=C1

InChI

InChI=1S/C11H16/c1-3-10(2)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3/t10-/m1/s1

InChIKey

IFDLFCDWOFLKEB-SNVBAGLBSA-N

Compound name

[(2R)-2-methylbutyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6566
Patents: 148.1252 Da
Monoisotopic Mass: 4.1
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	133.2
[M+Na]+	171.11442	139.5
[M-H]-	147.11792	136.5
[M+NH4]+	166.15902	154.6
[M+K]+	187.08836	137.7
[M+H-H2O]+	131.12246	127.6
[M+HCOO]-	193.12340	156.1
[M+CH3COO]-	207.13905	178.4
[M+Na-2H]-	169.09987	139.2
[M]+	148.12465	133.2
[M]-	148.12575	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe