CID 2452209

[3-(morpholine-4-sulfonyl)phenyl]methanol

Structural Information

Molecular Formula
C11H15NO4S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)CO
InChI
InChI=1S/C11H15NO4S/c13-9-10-2-1-3-11(8-10)17(14,15)12-4-6-16-7-5-12/h1-3,8,13H,4-7,9H2
InChIKey
PTHYGSUCUYDAKW-UHFFFAOYSA-N
Compound name
(3-morpholin-4-ylsulfonylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

257.07217 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.079446 154.1
[M+Na]+ 280.061388 160.3
[M-H]- 256.064894 158.3
[M+NH4]+ 275.105993 167.7
[M+K]+ 296.035328 158.2
[M+H-H2O]+ 240.069430 147.1
[M+HCOO]- 302.070371 166.3
[M+CH3COO]- 316.086021 186.3
[M+Na-2H]- 278.046836 158.5
[M]+ 257.07162142 153.5
[M]- 257.07271858 153.5
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

patents stripe