CID 70362

Morpholine, 4-(phenylthioacetyl)-

Structural Information

Molecular Formula

C₁₂H₁₅NOS

SMILES

C1COCCN1C(=S)CC2=CC=CC=C2

InChI

InChI=1S/C12H15NOS/c15-12(13-6-8-14-9-7-13)10-11-4-2-1-3-5-11/h1-5H,6-10H2

InChIKey

NYFHVSARWRNBEM-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-2-phenylethanethione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 20
Patents: 221.08743 Da
Monoisotopic Mass: 1.5
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]+	222.09471	148.2
[M+Na]+	244.07665	153.3
[M-H]-	220.08015	153.3
[M+NH4]+	239.12125	163.9
[M+K]+	260.05059	150.9
[M+H-H2O]+	204.08469	140.6
[M+HCOO]-	266.08563	161.3
[M+CH3COO]-	280.10128	159.4
[M+Na-2H]-	242.06210	150.9
[M]+	221.08688	145.6
[M]-	221.08798	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe