CID 99694

30301-12-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.6
[M+Na]+ 360.22979 188.7
[M-H]- 336.23329 190.4
[M+NH4]+ 355.27439 199.0
[M+K]+ 376.20373 183.3
[M+H-H2O]+ 320.23783 177.0
[M+HCOO]- 382.23877 199.6
[M+CH3COO]- 396.25442 213.7
[M+Na-2H]- 358.21524 188.7
[M]+ 337.24002 183.5
[M]- 337.24112 183.5
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.