CID 207501

30121-14-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 179.0
[M+Na]+ 332.198478 183.0
[M-H]- 308.201984 183.8
[M+NH4]+ 327.243083 194.7
[M+K]+ 348.172418 178.0
[M+H-H2O]+ 292.206520 170.6
[M+HCOO]- 354.207461 195.1
[M+CH3COO]- 368.223111 207.2
[M+Na-2H]- 330.183926 180.4
[M]+ 309.20871142 177.5
[M]- 309.20980858 177.5
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.