CID 4420807

26177-58-2

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

InChI=1S/C11H14O3/c1-4-13-11(12)14-10-6-8(2)5-9(3)7-10/h5-7H,4H2,1-3H3

InChIKey

WEUBQPZGDAHPLO-UHFFFAOYSA-N

Compound name

(3,5-dimethylphenyl) ethyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 194.0943 Da
Monoisotopic Mass: 3.2
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	140.4
[M+Na]+	217.083518	149.0
[M-H]-	193.087024	144.6
[M+NH4]+	212.128123	160.6
[M+K]+	233.057458	148.2
[M+H-H2O]+	177.091560	134.8
[M+HCOO]-	239.092501	164.3
[M+CH3COO]-	253.108151	184.3
[M+Na-2H]-	215.068966	145.1
[M]+	194.09375142	144.8
[M]-	194.09484858	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe