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]+ 210.094706 144.5
[M+Na]+ 232.076648 149.8
[M-H]- 208.080154 146.4
[M+NH4]+ 227.121253 160.9
[M+K]+ 248.050588 144.9
[M+H-H2O]+ 192.084690 137.8
[M+HCOO]- 254.085631 156.5
[M+CH3COO]- 268.101281 155.0
[M+Na-2H]- 230.062096 146.7
[M]+ 209.08688142 139.2
[M]- 209.08797858 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.