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

44
Patents

207.0718 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.