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]+ 316.227096 175.5
[M+Na]+ 338.209038 176.5
[M-H]- 314.212544 180.5
[M+NH4]+ 333.253643 188.2
[M+K]+ 354.182978 176.6
[M+H-H2O]+ 298.217080 167.5
[M+HCOO]- 360.218021 188.5
[M+CH3COO]- 374.233671 207.9
[M+Na-2H]- 336.194486 175.7
[M]+ 315.21927142 168.1
[M]- 315.22036858 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.