CID 38487

40494-44-8

Structural Information

Molecular Formula
C20H27NO2
SMILES
CN1CCCCC1COC(=O)CC2=CC3=C(CCCC=C3)C=C2
InChI
InChI=1S/C20H27NO2/c1-21-12-6-5-9-19(21)15-23-20(22)14-16-10-11-17-7-3-2-4-8-18(17)13-16/h4,8,10-11,13,19H,2-3,5-7,9,12,14-15H2,1H3
InChIKey
LHMMFBFFHNNPAJ-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-2-yl)methyl 2-(8,9-dihydro-7H-benzo[7]annulen-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.211476 174.6
[M+Na]+ 336.193418 176.5
[M-H]- 312.196924 180.0
[M+NH4]+ 331.238023 187.4
[M+K]+ 352.167358 176.6
[M+H-H2O]+ 296.201460 166.6
[M+HCOO]- 358.202401 188.9
[M+CH3COO]- 372.218051 207.6
[M+Na-2H]- 334.178866 175.7
[M]+ 313.20365142 168.5
[M]- 313.20474858 168.5
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.