CID 99699

28321-33-7

Structural Information

Molecular Formula
C22H29NO
SMILES
CC(C)C(CCN1CCCCC1)(C=O)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H29NO/c1-18(2)22(17-24,13-16-23-14-6-3-7-15-23)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
KSGAQWIFAJCZKJ-UHFFFAOYSA-N
Compound name
3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.2249 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.23218 182.1
[M+Na]+ 346.21412 184.6
[M-H]- 322.21762 186.0
[M+NH4]+ 341.25872 195.0
[M+K]+ 362.18806 179.4
[M+H-H2O]+ 306.22216 172.7
[M+HCOO]- 368.22310 195.5
[M+CH3COO]- 382.23875 210.8
[M+Na-2H]- 344.19957 184.7
[M]+ 323.22435 178.6
[M]- 323.22545 178.6
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.