CID 564930

4824-76-4

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CCCCOC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C11H14O3/c1-2-3-9-13-11(12)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChIKey

CMIUEWSUNAYXCG-UHFFFAOYSA-N

Compound name

butyl phenyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 814
Patents: 194.0943 Da
Monoisotopic Mass: 3.3
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	142.3
[M+Na]+	217.083518	148.9
[M-H]-	193.087024	145.6
[M+NH4]+	212.128123	161.7
[M+K]+	233.057458	148.0
[M+H-H2O]+	177.091560	136.0
[M+HCOO]-	239.092501	166.2
[M+CH3COO]-	253.108151	182.0
[M+Na-2H]-	215.068966	148.2
[M]+	194.09375142	145.8
[M]-	194.09484858	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe