CID 40421

Adamantane, 1-(2-morpholinoethyl)-, hydrochloride

Structural Information

Molecular Formula
C16H27NO
SMILES
C1COCCN1CCC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H27NO/c1(2-17-3-5-18-6-4-17)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15H,1-12H2
InChIKey
NVOLWMVIUKWJIG-UHFFFAOYSA-N
Compound name
4-[2-(1-adamantyl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.20926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.216536 155.7
[M+Na]+ 272.198478 154.7
[M-H]- 248.201984 151.9
[M+NH4]+ 267.243083 176.4
[M+K]+ 288.172418 152.1
[M+H-H2O]+ 232.206520 145.9
[M+HCOO]- 294.207461 157.1
[M+CH3COO]- 308.223111 162.2
[M+Na-2H]- 270.183926 164.5
[M]+ 249.20871142 151.8
[M]- 249.20980858 151.8
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.