CID 4685153

3-phenylthiomorpholine

Structural Information

Molecular Formula
C10H13NS
SMILES
C1CSCC(N1)C2=CC=CC=C2
InChI
InChI=1S/C10H13NS/c1-2-4-9(5-3-1)10-8-12-7-6-11-10/h1-5,10-11H,6-8H2
InChIKey
JIBMCWSAEWAKIP-UHFFFAOYSA-N
Compound name
3-phenylthiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

179.07687 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08415 136.3
[M+Na]+ 202.06609 141.8
[M-H]- 178.06959 139.6
[M+NH4]+ 197.11069 154.5
[M+K]+ 218.04003 137.6
[M+H-H2O]+ 162.07413 129.5
[M+HCOO]- 224.07507 150.0
[M+CH3COO]- 238.09072 147.8
[M+Na-2H]- 200.05154 140.0
[M]+ 179.07632 130.7
[M]- 179.07742 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

No literature data available for this compound.

Patent stripe

patents stripe