CID 512337

3-(2-adamantyl)-4-ethyl-morpholine

Structural Information

Molecular Formula
C16H27NO
SMILES
CCN1CCOCC1C2C3CC4CC(C3)CC2C4
InChI
InChI=1S/C16H27NO/c1-2-17-3-4-18-10-15(17)16-13-6-11-5-12(8-13)9-14(16)7-11/h11-16H,2-10H2,1H3
InChIKey
WSHZGOPWQWFQFL-UHFFFAOYSA-N
Compound name
3-(2-adamantyl)-4-ethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.20926 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.216536 156.7
[M+Na]+ 272.198478 156.2
[M-H]- 248.201984 153.3
[M+NH4]+ 267.243083 176.0
[M+K]+ 288.172418 153.7
[M+H-H2O]+ 232.206520 148.0
[M+HCOO]- 294.207461 158.0
[M+CH3COO]- 308.223111 163.4
[M+Na-2H]- 270.183926 163.5
[M]+ 249.20871142 153.2
[M]- 249.20980858 153.2
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.