CID 99070

30121-07-4

Structural Information

Molecular Formula
C20H27NO
SMILES
CCCCC(CCN(C)C)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C20H27NO/c1-4-5-13-20(16-22,14-15-21(2)3)19-12-8-10-17-9-6-7-11-18(17)19/h6-12,16H,4-5,13-15H2,1-3H3
InChIKey
VNHIUUMXRWASOZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 175.3
[M+Na]+ 320.19848 180.2
[M-H]- 296.20198 180.0
[M+NH4]+ 315.24308 192.0
[M+K]+ 336.17242 176.5
[M+H-H2O]+ 280.20652 167.6
[M+HCOO]- 342.20746 196.3
[M+CH3COO]- 356.22311 212.8
[M+Na-2H]- 318.18393 180.3
[M]+ 297.20871 178.9
[M]- 297.20981 178.9
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.