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

4
Patents

257.07217 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07945 154.1
[M+Na]+ 280.06139 160.3
[M-H]- 256.06489 158.3
[M+NH4]+ 275.10599 167.7
[M+K]+ 296.03533 158.2
[M+H-H2O]+ 240.06943 147.1
[M+HCOO]- 302.07037 166.3
[M+CH3COO]- 316.08602 186.3
[M+Na-2H]- 278.04684 158.5
[M]+ 257.07162 153.5
[M]- 257.07272 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