CID 317685

Cyclopentyl tosylate

Structural Information

Molecular Formula

C₁₂H₁₆O₃S

SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2

InChI

InChI=1S/C12H16O3S/c1-10-6-8-12(9-7-10)16(13,14)15-11-4-2-3-5-11/h6-9,11H,2-5H2,1H3

InChIKey

ZWOQVPFVARFZSF-UHFFFAOYSA-N

Compound name

cyclopentyl 4-methylbenzenesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 192
Patents: 240.08202 Da
Monoisotopic Mass: 2.8
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]+	241.08930	153.3
[M+Na]+	263.07124	163.8
[M+NH4]+	258.11584	161.6
[M+K]+	279.04518	157.9
[M-H]-	239.07474	155.7
[M+Na-2H]-	261.05669	159.0
[M]+	240.08147	155.8
[M]-	240.08257	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe