CID 11412694

Allyl phenyl carbonate

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

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

InChI

InChI=1S/C10H10O3/c1-2-8-12-10(11)13-9-6-4-3-5-7-9/h2-7H,1,8H2

InChIKey

ORUWSEKEVGOAQR-UHFFFAOYSA-N

Compound name

phenyl prop-2-enyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 682
Patents: 178.06299 Da
Monoisotopic Mass: 2.7
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]+	179.07027	136.1
[M+Na]+	201.05221	143.5
[M-H]-	177.05571	139.7
[M+NH4]+	196.09681	156.1
[M+K]+	217.02615	142.2
[M+H-H2O]+	161.06025	130.1
[M+HCOO]-	223.06119	160.5
[M+CH3COO]-	237.07684	178.1
[M+Na-2H]-	199.03766	142.6
[M]+	178.06244	138.5
[M]-	178.06354	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe