CID 970600

Morpholine, 4-(o-ethoxythiobenzoyl)-

Structural Information

Molecular Formula
C13H17NO2S
SMILES
CCOC1=CC=CC=C1C(=S)N2CCOCC2
InChI
InChI=1S/C13H17NO2S/c1-2-16-12-6-4-3-5-11(12)13(17)14-7-9-15-10-8-14/h3-6H,2,7-10H2,1H3
InChIKey
YFUKAGKJCHXTSE-UHFFFAOYSA-N
Compound name
(2-ethoxyphenyl)-morpholin-4-ylmethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

251.098 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10528 156.0
[M+Na]+ 274.08722 161.4
[M-H]- 250.09072 161.3
[M+NH4]+ 269.13182 170.8
[M+K]+ 290.06116 159.3
[M+H-H2O]+ 234.09526 148.3
[M+HCOO]- 296.09620 169.0
[M+CH3COO]- 310.11185 190.9
[M+Na-2H]- 272.07267 157.7
[M]+ 251.09745 155.7
[M]- 251.09855 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.