CID 204918

Benzoato di 3-piperidinometil-2-bornanolo cloridrato [italian]

Structural Information

Molecular Formula
C23H33NO2
SMILES
CC1(C2CCC1(C(C2CN3CCCCC3)OC(=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C23H33NO2/c1-22(2)19-12-13-23(22,3)20(18(19)16-24-14-8-5-9-15-24)26-21(25)17-10-6-4-7-11-17/h4,6-7,10-11,18-20H,5,8-9,12-16H2,1-3H3
InChIKey
NSMXJHKAPUQSEK-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(piperidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.25113 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.25841 191.2
[M+Na]+ 378.24035 195.3
[M-H]- 354.24385 197.8
[M+NH4]+ 373.28495 211.3
[M+K]+ 394.21429 190.5
[M+H-H2O]+ 338.24839 183.3
[M+HCOO]- 400.24933 204.6
[M+CH3COO]- 414.26498 200.0
[M+Na-2H]- 376.22580 187.8
[M]+ 355.25058 188.1
[M]- 355.25168 188.1
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.