CID 99077

30121-13-2

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCC(CCN1CCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H27NO/c1-2-12-21(17-23,13-16-22-14-5-6-15-22)20-11-7-9-18-8-3-4-10-19(18)20/h3-4,7-11,17H,2,5-6,12-16H2,1H3
InChIKey
LTWMXVBUSCANHY-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.4
[M+Na]+ 332.19848 190.4
[M+NH4]+ 327.24308 186.9
[M+K]+ 348.17242 183.4
[M-H]- 308.20198 182.0
[M+Na-2H]- 330.18393 184.8
[M]+ 309.20871 181.2
[M]- 309.20981 181.2
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.