CID 176245

68132-81-0

Structural Information

Molecular Formula
C20H34O6S
SMILES
CC(C)CC1=C(C(=CC=C1)OCCOCCOCCS(=O)(=O)O)CC(C)C
InChI
InChI=1S/C20H34O6S/c1-16(2)14-18-6-5-7-20(19(18)15-17(3)4)26-11-10-24-8-9-25-12-13-27(21,22)23/h5-7,16-17H,8-15H2,1-4H3,(H,21,22,23)
InChIKey
ZBIOYXDUARXWFE-UHFFFAOYSA-N
Compound name
2-[2-[2-[2,3-bis(2-methylpropyl)phenoxy]ethoxy]ethoxy]ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.2076 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21488 196.9
[M+Na]+ 425.19682 204.1
[M+NH4]+ 420.24142 200.5
[M+K]+ 441.17076 198.2
[M-H]- 401.20032 194.8
[M+Na-2H]- 423.18227 197.5
[M]+ 402.20705 197.5
[M]- 402.20815 197.5
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.