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 148.0
[M+Na]+ 245.07191 153.6
[M-H]- 221.07541 151.7
[M+NH4]+ 240.11651 162.3
[M+K]+ 261.04585 151.3
[M+H-H2O]+ 205.07995 139.7
[M+HCOO]- 267.08089 160.2
[M+CH3COO]- 281.09654 158.9
[M+Na-2H]- 243.05736 151.1
[M]+ 222.08214 145.5
[M]- 222.08324 145.5
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.