CID 213265

Brn 1581495

Structural Information

Molecular Formula
C21H29N
SMILES
CC(C)C(CCN1CCCCC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H29N/c1-17(2)19(13-16-22-14-6-3-7-15-22)21-12-8-10-18-9-4-5-11-20(18)21/h4-5,8-12,17,19H,3,6-7,13-16H2,1-2H3
InChIKey
WARVWELRDCRESP-UHFFFAOYSA-N
Compound name
1-(4-methyl-3-naphthalen-1-ylpentyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.23 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.237276 175.2
[M+Na]+ 318.219218 177.3
[M-H]- 294.222724 179.1
[M+NH4]+ 313.263823 189.3
[M+K]+ 334.193158 172.2
[M+H-H2O]+ 278.227260 165.6
[M+HCOO]- 340.228201 189.2
[M+CH3COO]- 354.243851 183.6
[M+Na-2H]- 316.204666 176.3
[M]+ 295.22945142 170.5
[M]- 295.23054858 170.5
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.