CID 9579222

1-(1-adamantyl)-n-(3-morpholinoprop-1-ynoxy)ethanimine

Structural Information

Molecular Formula
C19H28N2O2
SMILES
C/C(=N\OC#CCN1CCOCC1)/C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C19H28N2O2/c1-15(20-23-6-2-3-21-4-7-22-8-5-21)19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18H,3-5,7-14H2,1H3/b20-15+
InChIKey
DOSFQRAHVRREMC-HMMYKYKNSA-N
Compound name
(E)-1-(1-adamantyl)-N-(3-morpholin-4-ylprop-1-ynoxy)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.2151 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.222376 168.6
[M+Na]+ 339.204318 171.8
[M-H]- 315.207824 165.0
[M+NH4]+ 334.248923 185.2
[M+K]+ 355.178258 161.4
[M+H-H2O]+ 299.212360 154.3
[M+HCOO]- 361.213301 167.7
[M+CH3COO]- 375.228951 173.4
[M+Na-2H]- 337.189766 175.4
[M]+ 316.21455142 161.6
[M]- 316.21564858 161.6
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.