CID 2802505

4-(1-adamantylsulfinyl)morpholine

Structural Information

Molecular Formula
C14H23NO2S
SMILES
C1COCCN1S(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C14H23NO2S/c16-18(15-1-3-17-4-2-15)14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13H,1-10H2
InChIKey
ITCBAGHZONQICL-UHFFFAOYSA-N
Compound name
4-(1-adamantylsulfinyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.14496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.152236 152.9
[M+Na]+ 292.134178 152.5
[M-H]- 268.137684 148.8
[M+NH4]+ 287.178783 173.3
[M+K]+ 308.108118 151.7
[M+H-H2O]+ 252.142220 145.5
[M+HCOO]- 314.143161 150.0
[M+CH3COO]- 328.158811 159.6
[M+Na-2H]- 290.119626 161.6
[M]+ 269.14441142 152.0
[M]- 269.14550858 152.0
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.