CID 4410876

2,2-dimethylpropyl 2-methyl-1-phenyl-1-propane sulfonate

Structural Information

Molecular Formula
C15H24O3S
SMILES
CC(C)C(C1=CC=CC=C1)S(=O)(=O)OCC(C)(C)C
InChI
InChI=1S/C15H24O3S/c1-12(2)14(13-9-7-6-8-10-13)19(16,17)18-11-15(3,4)5/h6-10,12,14H,11H2,1-5H3
InChIKey
WRIHAFNWLDGYKD-UHFFFAOYSA-N
Compound name
2,2-dimethylpropyl 2-methyl-1-phenylpropane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14462 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15190 166.1
[M+Na]+ 307.13384 171.6
[M-H]- 283.13734 169.4
[M+NH4]+ 302.17844 182.4
[M+K]+ 323.10778 169.5
[M+H-H2O]+ 267.14188 160.2
[M+HCOO]- 329.14282 179.4
[M+CH3COO]- 343.15847 199.3
[M+Na-2H]- 305.11929 167.7
[M]+ 284.14407 171.0
[M]- 284.14517 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.