CID 23255223

88476-50-0

Structural Information

Molecular Formula
C11H16O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(C)O
InChI
InChI=1S/C11H16O4S/c1-9-4-6-10(7-5-9)16(13,14)15-8-11(2,3)12/h4-7,12H,8H2,1-3H3
InChIKey
ATAHYKWRFNQZLZ-UHFFFAOYSA-N
Compound name
(2-hydroxy-2-methylpropyl) 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

244.07693 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.084206 152.6
[M+Na]+ 267.066148 160.5
[M-H]- 243.069654 155.2
[M+NH4]+ 262.110753 170.0
[M+K]+ 283.040088 157.9
[M+H-H2O]+ 227.074190 147.3
[M+HCOO]- 289.075131 167.9
[M+CH3COO]- 303.090781 187.0
[M+Na-2H]- 265.051596 157.3
[M]+ 244.07638142 157.2
[M]- 244.07747858 157.2
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

patents stripe