CID 10857272

2-benzyloxyethyl mesylate

Structural Information

Molecular Formula

C₁₀H₁₄O₄S

SMILES

CS(=O)(=O)OCCOCC1=CC=CC=C1

InChI

InChI=1S/C10H14O4S/c1-15(11,12)14-8-7-13-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3

InChIKey

WRCFQQXCKZAOPC-UHFFFAOYSA-N

Compound name

2-phenylmethoxyethyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 215
Patents: 230.06128 Da
Monoisotopic Mass: 1.0
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]+	231.06856	148.4
[M+Na]+	253.05050	156.0
[M-H]-	229.05400	152.0
[M+NH4]+	248.09510	166.7
[M+K]+	269.02444	154.1
[M+H-H2O]+	213.05854	142.3
[M+HCOO]-	275.05948	167.1
[M+CH3COO]-	289.07513	185.0
[M+Na-2H]-	251.03595	153.5
[M]+	230.06073	154.6
[M]-	230.06183	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe