CID 527088

Isobutyl phenyl carbonate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C)COC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C11H14O3/c1-9(2)8-13-11(12)14-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3

InChIKey

MTFSSQVLWRFNAZ-UHFFFAOYSA-N

Compound name

2-methylpropyl phenyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 194.0943 Da
Monoisotopic Mass: 3.4
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]+	195.101576	142.5
[M+Na]+	217.083518	148.9
[M-H]-	193.087024	145.9
[M+NH4]+	212.128123	161.8
[M+K]+	233.057458	148.5
[M+H-H2O]+	177.091560	136.3
[M+HCOO]-	239.092501	165.3
[M+CH3COO]-	253.108151	182.9
[M+Na-2H]-	215.068966	147.1
[M]+	194.09375142	145.3
[M]-	194.09484858	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe