CID 38483

Brn 1493187

Structural Information

Molecular Formula
C20H29NO2
SMILES
CN1CCCCC1COC(=O)CC2C=CC=CC3=C2CCCC3
InChI
InChI=1S/C20H29NO2/c1-21-13-7-6-11-18(21)15-23-20(22)14-17-10-3-2-8-16-9-4-5-12-19(16)17/h2-3,8,10,17-18H,4-7,9,11-15H2,1H3
InChIKey
XFYXHAXPOWKVEE-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-2-yl)methyl 2-(2,3,4,5-tetrahydro-1H-benzo[7]annulen-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 175.5
[M+Na]+ 338.20904 176.5
[M-H]- 314.21254 180.5
[M+NH4]+ 333.25364 188.2
[M+K]+ 354.18298 176.6
[M+H-H2O]+ 298.21708 167.5
[M+HCOO]- 360.21802 188.5
[M+CH3COO]- 374.23367 207.9
[M+Na-2H]- 336.19449 175.7
[M]+ 315.21927 168.1
[M]- 315.22037 168.1
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.