CID 204912

2-bornanol, 3-((dipropylamino)methyl)-, benzoate (ester), hydrochloride

Structural Information

Molecular Formula
C24H37NO2
SMILES
CCCN(CCC)CC1C2CCC(C1OC(=O)C3=CC=CC=C3)(C2(C)C)C
InChI
InChI=1S/C24H37NO2/c1-6-15-25(16-7-2)17-19-20-13-14-24(5,23(20,3)4)21(19)27-22(26)18-11-9-8-10-12-18/h8-12,19-21H,6-7,13-17H2,1-5H3
InChIKey
FVPXSEBDBDRNLS-UHFFFAOYSA-N
Compound name
[3-[(dipropylamino)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

371.28244 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.28972 194.3
[M+Na]+ 394.27166 202.0
[M+NH4]+ 389.31626 204.8
[M+K]+ 410.24560 194.6
[M-H]- 370.27516 196.9
[M+Na-2H]- 392.25711 198.4
[M]+ 371.28189 196.2
[M]- 371.28299 196.2
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.