CID 292699

4-(2-thienylthioformyl)-morpholine

Structural Information

Molecular Formula
C9H11NOS2
SMILES
C1COCCN1C(=S)C2=CC=CS2
InChI
InChI=1S/C9H11NOS2/c12-9(8-2-1-7-13-8)10-3-5-11-6-4-10/h1-2,7H,3-6H2
InChIKey
QVHKXXQHVIOSMM-UHFFFAOYSA-N
Compound name
morpholin-4-yl(thiophen-2-yl)methanethione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

213.02821 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.03549 143.5
[M+Na]+ 236.01743 150.7
[M-H]- 212.02093 149.1
[M+NH4]+ 231.06203 162.0
[M+K]+ 251.99137 148.3
[M+H-H2O]+ 196.02547 137.8
[M+HCOO]- 258.02641 153.2
[M+CH3COO]- 272.04206 155.5
[M+Na-2H]- 234.00288 142.9
[M]+ 213.02766 142.0
[M]- 213.02876 142.0
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.