CID 204916

Benzoato di 3-pirrolidinometil-2-bornanol cloridrato [italian]

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC1(C2CCC1(C(C2CN3CCCC3)OC(=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H31NO2/c1-21(2)18-11-12-22(21,3)19(17(18)15-23-13-7-8-14-23)25-20(24)16-9-5-4-6-10-16/h4-6,9-10,17-19H,7-8,11-15H2,1-3H3
InChIKey
CEBAGMIPMIIOOQ-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(pyrrolidin-1-ylmethyl)-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 184.9
[M+Na]+ 364.22469 193.1
[M+NH4]+ 359.26929 196.1
[M+K]+ 380.19863 187.9
[M-H]- 340.22819 187.9
[M+Na-2H]- 362.21014 189.6
[M]+ 341.23492 187.0
[M]- 341.23602 187.0
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.