CID 99072

30121-05-2

Structural Information

Molecular Formula
C19H25NO
SMILES
CCCC(CCN(C)C)(C=O)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C19H25NO/c1-4-12-19(15-21,13-14-20(2)3)18-11-7-9-16-8-5-6-10-17(16)18/h5-11,15H,4,12-14H2,1-3H3
InChIKey
GKUFVUOQMAIZTM-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 170.6
[M+Na]+ 306.18282 175.9
[M-H]- 282.18632 175.5
[M+NH4]+ 301.22742 187.9
[M+K]+ 322.15676 172.5
[M+H-H2O]+ 266.19086 163.1
[M+HCOO]- 328.19180 191.9
[M+CH3COO]- 342.20745 209.8
[M+Na-2H]- 304.16827 176.1
[M]+ 283.19305 173.9
[M]- 283.19415 173.9
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.