CID 213266

25913-53-5

Structural Information

Molecular Formula
C22H31N
SMILES
CCC(C)C(CCN1CCCCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H31N/c1-3-18(2)20(14-17-23-15-7-4-8-16-23)22-13-9-11-19-10-5-6-12-21(19)22/h5-6,9-13,18,20H,3-4,7-8,14-17H2,1-2H3
InChIKey
RLHAHIKHAOJZGM-UHFFFAOYSA-N
Compound name
1-(4-methyl-3-naphthalen-1-ylhexyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.24564 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.25292 179.8
[M+Na]+ 332.23486 181.4
[M-H]- 308.23836 183.5
[M+NH4]+ 327.27946 193.3
[M+K]+ 348.20880 176.1
[M+H-H2O]+ 292.24290 170.0
[M+HCOO]- 354.24384 193.4
[M+CH3COO]- 368.25949 210.0
[M+Na-2H]- 330.22031 180.3
[M]+ 309.24509 175.4
[M]- 309.24619 175.4
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.