CID 28787664

4-methyl-2-(thiomorpholine-4-carbonyl)phenol

Structural Information

Molecular Formula
C12H15NO2S
SMILES
CC1=CC(=C(C=C1)O)C(=O)N2CCSCC2
InChI
InChI=1S/C12H15NO2S/c1-9-2-3-11(14)10(8-9)12(15)13-4-6-16-7-5-13/h2-3,8,14H,4-7H2,1H3
InChIKey
GFBNQWORCHPLPL-UHFFFAOYSA-N
Compound name
(2-hydroxy-5-methylphenyl)-thiomorpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.08235 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08963 151.7
[M+Na]+ 260.07157 157.7
[M-H]- 236.07507 155.3
[M+NH4]+ 255.11617 167.8
[M+K]+ 276.04551 153.9
[M+H-H2O]+ 220.07961 144.7
[M+HCOO]- 282.08055 164.2
[M+CH3COO]- 296.09620 186.6
[M+Na-2H]- 258.05702 152.0
[M]+ 237.08180 149.0
[M]- 237.08290 149.0
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.