CID 289457

4-(4-hydroxythiobenzoyl)morpholine

Structural Information

Molecular Formula

C₁₁H₁₃NO₂S

SMILES

C1COCCN1C(=S)C2=CC=C(C=C2)O

InChI

InChI=1S/C11H13NO2S/c13-10-3-1-9(2-4-10)11(15)12-5-7-14-8-6-12/h1-4,13H,5-8H2

InChIKey

LGHDQMZUHFBSQU-UHFFFAOYSA-N

Compound name

(4-hydroxyphenyl)-morpholin-4-ylmethanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 9
Patents: 223.0667 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.07398	147.4
[M+Na]+	246.05592	153.3
[M-H]-	222.05942	151.7
[M+NH4]+	241.10052	162.6
[M+K]+	262.02986	150.7
[M+H-H2O]+	206.06396	140.4
[M+HCOO]-	268.06490	159.6
[M+CH3COO]-	282.08055	182.4
[M+Na-2H]-	244.04137	149.7
[M]+	223.06615	144.6
[M]-	223.06725	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe