CID 121524

3-((dimethylamino)methyl)-2-bornanol benzoate hydrochloride

Structural Information

Molecular Formula
C20H29NO2
SMILES
CC1(C2CCC1(C(C2CN(C)C)OC(=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C20H29NO2/c1-19(2)16-11-12-20(19,3)17(15(16)13-21(4)5)23-18(22)14-9-7-6-8-10-14/h6-10,15-17H,11-13H2,1-5H3
InChIKey
AORWTHWPCIEOFC-UHFFFAOYSA-N
Compound name
[3-[(dimethylamino)methyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 176.8
[M+Na]+ 338.20904 185.4
[M+NH4]+ 333.25364 188.1
[M+K]+ 354.18298 178.9
[M-H]- 314.21254 179.6
[M+Na-2H]- 336.19449 182.0
[M]+ 315.21927 179.0
[M]- 315.22037 179.0
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.