CID 54594302

(5-phenylthiomorpholin-3-yl)methanol

Structural Information

Molecular Formula
C11H15NOS
SMILES
C1C(NC(CS1)C2=CC=CC=C2)CO
InChI
InChI=1S/C11H15NOS/c13-6-10-7-14-8-11(12-10)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2
InChIKey
UWFUIBSJCDOJPV-UHFFFAOYSA-N
Compound name
(5-phenylthiomorpholin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 144.5
[M+Na]+ 232.07665 149.8
[M-H]- 208.08015 146.4
[M+NH4]+ 227.12125 160.9
[M+K]+ 248.05059 144.9
[M+H-H2O]+ 192.08469 137.8
[M+HCOO]- 254.08563 156.5
[M+CH3COO]- 268.10128 155.0
[M+Na-2H]- 230.06210 146.7
[M]+ 209.08688 139.2
[M]- 209.08798 139.2
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.