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

6
Patents

223.0667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.