CID 12621595

10437-85-1

Structural Information

Molecular Formula
C11H14O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2CCC2
InChI
InChI=1S/C11H14O3S/c1-9-5-7-11(8-6-9)15(12,13)14-10-3-2-4-10/h5-8,10H,2-4H2,1H3
InChIKey
XYXWCEWUIUOMAU-UHFFFAOYSA-N
Compound name
cyclobutyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

226.06636 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07364 142.7
[M+Na]+ 249.05558 149.7
[M+NH4]+ 244.10018 147.0
[M+K]+ 265.02952 144.8
[M-H]- 225.05908 142.3
[M+Na-2H]- 247.04103 147.0
[M]+ 226.06581 142.8
[M]- 226.06691 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe