CID 99074

30121-15-4

Structural Information

Molecular Formula
C22H29NO
SMILES
CCCCC(CCN1CCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H29NO/c1-2-3-13-22(18-24,14-17-23-15-6-7-16-23)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
XIMOEGPVAXZFHV-UHFFFAOYSA-N
Compound name
2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)hexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.232176 183.6
[M+Na]+ 346.214118 187.5
[M-H]- 322.217624 188.1
[M+NH4]+ 341.258723 198.7
[M+K]+ 362.188058 181.7
[M+H-H2O]+ 306.222160 174.8
[M+HCOO]- 368.223101 200.3
[M+CH3COO]- 382.238751 209.4
[M+Na-2H]- 344.199566 185.5
[M]+ 323.22435142 183.1
[M]- 323.22544858 183.1
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.