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]+ 310.216536 179.0
[M+Na]+ 332.198478 183.4
[M-H]- 308.201984 183.7
[M+NH4]+ 327.243083 194.8
[M+K]+ 348.172418 177.9
[M+H-H2O]+ 292.206520 170.5
[M+HCOO]- 354.207461 196.1
[M+CH3COO]- 368.223111 206.4
[M+Na-2H]- 330.183926 181.5
[M]+ 309.20871142 178.2
[M]- 309.20980858 178.2
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.