CID 121430

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

Structural Information

Molecular Formula
C22H33NO2
SMILES
CCN(CC)CC1C2CCC(C1OC(=O)C3=CC=CC=C3)(C2(C)C)C
InChI
InChI=1S/C22H33NO2/c1-6-23(7-2)15-17-18-13-14-22(5,21(18,3)4)19(17)25-20(24)16-11-9-8-10-12-16/h8-12,17-19H,6-7,13-15H2,1-5H3
InChIKey
GRCMFILLVUWGNL-UHFFFAOYSA-N
Compound name
[3-(diethylaminomethyl)-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

343.25113 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.25841 187.2
[M+Na]+ 366.24035 192.8
[M-H]- 342.24385 194.2
[M+NH4]+ 361.28495 210.3
[M+K]+ 382.21429 189.5
[M+H-H2O]+ 326.24839 181.8
[M+HCOO]- 388.24933 206.7
[M+CH3COO]- 402.26498 219.9
[M+Na-2H]- 364.22580 186.0
[M]+ 343.25058 190.8
[M]- 343.25168 190.8
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.