CID 207502

Alpha-sec-butyl-alpha-(2-pyrrolidinoethyl)-1-naphthaleneacetaldehyde

Structural Information

Molecular Formula
C22H29NO
SMILES
CCC(C)C(CCN1CCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H29NO/c1-3-18(2)22(17-24,13-16-23-14-6-7-15-23)21-12-8-10-19-9-4-5-11-20(19)21/h4-5,8-12,17-18H,3,6-7,13-16H2,1-2H3
InChIKey
QHWKDROEIYZPBH-UHFFFAOYSA-N
Compound name
3-methyl-2-naphthalen-1-yl-2-(2-pyrrolidin-1-ylethyl)pentanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 182.3
[M+Na]+ 346.21412 193.8
[M+NH4]+ 341.25872 190.6
[M+K]+ 362.18806 187.3
[M-H]- 322.21762 185.7
[M+Na-2H]- 344.19957 188.1
[M]+ 323.22435 184.9
[M]- 323.22545 184.9
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.