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]+ 296.23728 175.2
[M+Na]+ 318.21922 177.3
[M-H]- 294.22272 179.1
[M+NH4]+ 313.26382 189.3
[M+K]+ 334.19316 172.2
[M+H-H2O]+ 278.22726 165.6
[M+HCOO]- 340.22820 189.2
[M+CH3COO]- 354.24385 183.6
[M+Na-2H]- 316.20467 176.3
[M]+ 295.22945 170.5
[M]- 295.23055 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.