CID 16244

Morpholine, 4-(thiobenzoyl)-

Structural Information

Molecular Formula

C₁₁H₁₃NOS

SMILES

C1COCCN1C(=S)C2=CC=CC=C2

InChI

InChI=1S/C11H13NOS/c14-11(10-4-2-1-3-5-10)12-6-8-13-9-7-12/h1-5H,6-9H2

InChIKey

AEKJTLISCSMKLR-UHFFFAOYSA-N

Compound name

morpholin-4-yl(phenyl)methanethione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 31
Patents: 207.0718 Da
Monoisotopic Mass: 1.6
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]+	208.07908	143.7
[M+Na]+	230.06102	149.2
[M-H]-	206.06452	149.0
[M+NH4]+	225.10562	160.1
[M+K]+	246.03496	147.2
[M+H-H2O]+	190.06906	136.4
[M+HCOO]-	252.07000	157.2
[M+CH3COO]-	266.08565	155.4
[M+Na-2H]-	228.04647	147.0
[M]+	207.07125	140.8
[M]-	207.07235	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe