CID 81113

Tert-butyl phenyl carbonate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

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

InChIKey

UXWVQHXKKOGTSY-UHFFFAOYSA-N

Compound name

tert-butyl phenyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1102
Patents: 194.0943 Da
Monoisotopic Mass: 3.1
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]+	195.101576	142.0
[M+Na]+	217.083518	149.2
[M-H]-	193.087024	145.8
[M+NH4]+	212.128123	161.7
[M+K]+	233.057458	148.8
[M+H-H2O]+	177.091560	136.5
[M+HCOO]-	239.092501	164.3
[M+CH3COO]-	253.108151	181.7
[M+Na-2H]-	215.068966	148.7
[M]+	194.09375142	145.0
[M]-	194.09484858	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe