CID 95002

5423-64-3

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1COCCN1C(=S)CC2=CN=CC=C2
InChI
InChI=1S/C11H14N2OS/c15-11(13-4-6-14-7-5-13)8-10-2-1-3-12-9-10/h1-3,9H,4-8H2
InChIKey
GTBVCLWBSABWPA-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-pyridin-3-ylethanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

222.08269 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 148.2
[M+Na]+ 245.07191 160.7
[M+NH4]+ 240.11651 156.8
[M+K]+ 261.04585 152.3
[M-H]- 221.07541 152.7
[M+Na-2H]- 243.05736 154.9
[M]+ 222.08214 151.7
[M]- 222.08324 151.7
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

patents stripe