CID 24915

10094-34-5

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CCCC(=O)OC(C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3

InChIKey

SHSGYHAHMQLYRB-UHFFFAOYSA-N

Compound name

(2-methyl-1-phenylpropan-2-yl) butanoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 2933
Patents: 220.14633 Da
Monoisotopic Mass: 3.5
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]+	221.15361	152.6
[M+Na]+	243.13555	164.1
[M+NH4]+	238.18015	160.3
[M+K]+	259.10949	157.8
[M-H]-	219.13905	153.8
[M+Na-2H]-	241.12100	158.6
[M]+	220.14578	154.6
[M]-	220.14688	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe