CID 205707

Brn 0920759

Structural Information

Molecular Formula
C20H27NO
SMILES
CC(C)C(CCN1CCOCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C20H27NO/c1-16(2)18(10-11-21-12-14-22-15-13-21)20-9-5-7-17-6-3-4-8-19(17)20/h3-9,16,18H,10-15H2,1-2H3
InChIKey
XUHNOFDLUSNFOZ-UHFFFAOYSA-N
Compound name
4-(4-methyl-3-naphthalen-1-ylpentyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.6
[M+Na]+ 320.19848 177.2
[M-H]- 296.20198 179.3
[M+NH4]+ 315.24308 187.3
[M+K]+ 336.17242 174.0
[M+H-H2O]+ 280.20652 165.0
[M+HCOO]- 342.20746 188.2
[M+CH3COO]- 356.22311 183.4
[M+Na-2H]- 318.18393 176.9
[M]+ 297.20871 171.5
[M]- 297.20981 171.5
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.