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]+ 324.23218 183.6
[M+Na]+ 346.21412 187.5
[M-H]- 322.21762 188.1
[M+NH4]+ 341.25872 198.7
[M+K]+ 362.18806 181.7
[M+H-H2O]+ 306.22216 174.8
[M+HCOO]- 368.22310 200.3
[M+CH3COO]- 382.23875 209.4
[M+Na-2H]- 344.19957 185.5
[M]+ 323.22435 183.1
[M]- 323.22545 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.