CID 89803

Ethyl p-tolyl carbonate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

InChI=1S/C10H12O3/c1-3-12-10(11)13-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey

SMZZUTOGLVAUKB-UHFFFAOYSA-N

Compound name

ethyl (4-methylphenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 152
Patents: 180.07864 Da
Monoisotopic Mass: 2.9
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]+	181.08592	136.6
[M+Na]+	203.06786	144.7
[M-H]-	179.07136	140.7
[M+NH4]+	198.11246	157.0
[M+K]+	219.04180	144.1
[M+H-H2O]+	163.07590	130.9
[M+HCOO]-	225.07684	160.9
[M+CH3COO]-	239.09249	180.1
[M+Na-2H]-	201.05331	142.5
[M]+	180.07809	140.2
[M]-	180.07919	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe