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 196.3
[M+Na]+ 394.27166 200.9
[M-H]- 370.27516 202.8
[M+NH4]+ 389.31626 218.2
[M+K]+ 410.24560 197.2
[M+H-H2O]+ 354.27970 190.5
[M+HCOO]- 416.28064 215.0
[M+CH3COO]- 430.29629 225.7
[M+Na-2H]- 392.25711 194.0
[M]+ 371.28189 200.5
[M]- 371.28299 200.5
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.