CID 11182814

Benzyl methyl carbonate

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

COC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C9H10O3/c1-11-9(10)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChIKey

ZGEPKHDCMGFQQP-UHFFFAOYSA-N

Compound name

benzyl methyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8630
Patents: 166.06299 Da
Monoisotopic Mass: 2.4
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]+	167.07027	132.8
[M+Na]+	189.05221	140.3
[M-H]-	165.05571	136.6
[M+NH4]+	184.09681	153.4
[M+K]+	205.02615	139.9
[M+H-H2O]+	149.06025	127.0
[M+HCOO]-	211.06119	157.4
[M+CH3COO]-	225.07684	176.0
[M+Na-2H]-	187.03766	139.8
[M]+	166.06244	135.6
[M]-	166.06354	135.6

Literature stripe

literature stripe

Patent stripe

patents stripe