CID 99698

30301-08-7

Structural Information

Molecular Formula
C22H29NO
SMILES
CCCC(CCN1CCCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H29NO/c1-2-13-22(18-24,14-17-23-15-6-3-7-16-23)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12,18H,2-3,6-7,13-17H2,1H3
InChIKey
TUAHCFGPNCKWTE-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 182.4
[M+Na]+ 346.214118 185.3
[M-H]- 322.217624 186.3
[M+NH4]+ 341.258723 195.4
[M+K]+ 362.188058 179.5
[M+H-H2O]+ 306.222160 172.8
[M+HCOO]- 368.223101 196.8
[M+CH3COO]- 382.238751 210.0
[M+Na-2H]- 344.199566 186.1
[M]+ 323.22435142 179.5
[M]- 323.22544858 179.5
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.