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]+ 356.258406 191.2
[M+Na]+ 378.240348 195.3
[M-H]- 354.243854 197.8
[M+NH4]+ 373.284953 211.3
[M+K]+ 394.214288 190.5
[M+H-H2O]+ 338.248390 183.3
[M+HCOO]- 400.249331 204.6
[M+CH3COO]- 414.264981 200.0
[M+Na-2H]- 376.225796 187.8
[M]+ 355.25058142 188.1
[M]- 355.25167858 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.