CID 207624

Alpha-sec-butyl-alpha-(2-(dimethylamino)ethyl)-2-naphthaleneacetaldehyde

Structural Information

Molecular Formula
C20H27NO
SMILES
CCC(C)C(CCN(C)C)(C=O)C1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C20H27NO/c1-5-16(2)20(15-22,12-13-21(3)4)19-11-10-17-8-6-7-9-18(17)14-19/h6-11,14-16H,5,12-13H2,1-4H3
InChIKey
BEVNMIZHCRYSAC-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-2-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.5
[M+Na]+ 320.19848 186.4
[M+NH4]+ 315.24308 182.8
[M+K]+ 336.17242 178.7
[M-H]- 296.20198 177.8
[M+Na-2H]- 318.18393 180.7
[M]+ 297.20871 177.2
[M]- 297.20981 177.2
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.