CID 5004199

2-phenylthiomorpholine

Structural Information

Molecular Formula
C10H13NS
SMILES
C1CSC(CN1)C2=CC=CC=C2
InChI
InChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-11H,6-8H2
InChIKey
SRYHBJDVLOEJNP-UHFFFAOYSA-N
Compound name
2-phenylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

190
Patents

179.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.084146 136.3
[M+Na]+ 202.066088 141.8
[M-H]- 178.069594 139.6
[M+NH4]+ 197.110693 154.5
[M+K]+ 218.040028 137.6
[M+H-H2O]+ 162.074130 129.5
[M+HCOO]- 224.075071 150.0
[M+CH3COO]- 238.090721 147.8
[M+Na-2H]- 200.051536 140.0
[M]+ 179.07632142 130.7
[M]- 179.07741858 130.7
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