CID 3052685

Dtxsid00988930

Structural Information

Molecular Formula

SMILES

CCC1C(=S)NCCO1

InChI

InChI=1S/C6H11NOS/c1-2-5-6(9)7-3-4-8-5/h5H,2-4H2,1H3,(H,7,9)

InChIKey

ILQGKNFFWUCRJB-UHFFFAOYSA-N

Compound name

2-ethylmorpholine-3-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 145.05614 Da
Monoisotopic Mass: 0.7
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]+	146.063416	128.5
[M+Na]+	168.045358	135.2
[M-H]-	144.048864	129.8
[M+NH4]+	163.089963	147.3
[M+K]+	184.019298	133.7
[M+H-H2O]+	128.053400	123.0
[M+HCOO]-	190.054341	141.3
[M+CH3COO]-	204.069991	169.4
[M+Na-2H]-	166.030806	131.6
[M]+	145.05559142	125.5
[M]-	145.05668858	125.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.