CID 99073

30301-10-1

Structural Information

Molecular Formula
C23H31NO
SMILES
CCCCC(CCN1CCCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C23H31NO/c1-2-3-14-23(19-25,15-18-24-16-7-4-8-17-24)22-13-9-11-20-10-5-6-12-21(20)22/h5-6,9-13,19H,2-4,7-8,14-18H2,1H3
InChIKey
WAJSAVZFRTWYIR-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)hexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.9
[M+Na]+ 360.22979 189.3
[M-H]- 336.23329 190.6
[M+NH4]+ 355.27439 199.3
[M+K]+ 376.20373 183.3
[M+H-H2O]+ 320.23783 177.0
[M+HCOO]- 382.23877 200.9
[M+CH3COO]- 396.25442 212.9
[M+Na-2H]- 358.21524 190.1
[M]+ 337.24002 184.3
[M]- 337.24112 184.3
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.