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]+ 317.22238 168.6
[M+Na]+ 339.20432 171.8
[M-H]- 315.20782 165.0
[M+NH4]+ 334.24892 185.2
[M+K]+ 355.17826 161.4
[M+H-H2O]+ 299.21236 154.3
[M+HCOO]- 361.21330 167.7
[M+CH3COO]- 375.22895 173.4
[M+Na-2H]- 337.18977 175.4
[M]+ 316.21455 161.6
[M]- 316.21565 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.