CID 99069

30120-98-0

Structural Information

Molecular Formula
C20H27NO
SMILES
CC(C)CC(CCN(C)C)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H27NO/c1-16(2)14-20(15-22,12-13-21(3)4)19-11-7-9-17-8-5-6-10-18(17)19/h5-11,15-16H,12-14H2,1-4H3
InChIKey
VLGICAFBZSZMJF-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-4-methyl-2-naphthalen-1-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.216536 175.1
[M+Na]+ 320.198478 179.7
[M-H]- 296.201984 179.9
[M+NH4]+ 315.243083 191.7
[M+K]+ 336.172418 176.6
[M+H-H2O]+ 280.206520 167.6
[M+HCOO]- 342.207461 195.1
[M+CH3COO]- 356.223111 213.6
[M+Na-2H]- 318.183926 178.9
[M]+ 297.20871142 178.1
[M]- 297.20980858 178.1
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.