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 178.1
[M+Na]+ 338.20904 184.5
[M-H]- 314.21254 185.5
[M+NH4]+ 333.25364 202.4
[M+K]+ 354.18298 181.7
[M+H-H2O]+ 298.21708 173.0
[M+HCOO]- 360.21802 198.3
[M+CH3COO]- 374.23367 214.0
[M+Na-2H]- 336.19449 177.9
[M]+ 315.21927 181.0
[M]- 315.22037 181.0
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.