CID 218332

Brn 1475741

Structural Information

Molecular Formula
C18H27NO
SMILES
CN1CCCCC1COC2CCCCC3=CC=CC=C23
InChI
InChI=1S/C18H27NO/c1-19-13-7-6-10-16(19)14-20-18-12-5-3-9-15-8-2-4-11-17(15)18/h2,4,8,11,16,18H,3,5-7,9-10,12-14H2,1H3
InChIKey
PNBOVNQKGVTJLP-UHFFFAOYSA-N
Compound name
1-methyl-2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yloxymethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.20926 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.21654 165.1
[M+Na]+ 296.19848 166.9
[M-H]- 272.20198 170.3
[M+NH4]+ 291.24308 179.5
[M+K]+ 312.17242 166.7
[M+H-H2O]+ 256.20652 157.3
[M+HCOO]- 318.20746 179.2
[M+CH3COO]- 332.22311 174.0
[M+Na-2H]- 294.18393 167.2
[M]+ 273.20871 156.9
[M]- 273.20981 156.9
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.