CID 41811

6,7-dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane propionate (ester) hydrobromide

Structural Information

Molecular Formula
C18H25NO2
SMILES
CCC(=O)OC1=CC=CC(=C1)C23CCCC(C2)N(C3C)C
InChI
InChI=1S/C18H25NO2/c1-4-17(20)21-16-9-5-7-14(11-16)18-10-6-8-15(12-18)19(3)13(18)2/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3
InChIKey
NZIIUCRTIWXMPW-UHFFFAOYSA-N
Compound name
[3-(6,7-dimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenyl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

287.18854 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.19582 170.7
[M+Na]+ 310.17776 176.9
[M-H]- 286.18126 174.9
[M+NH4]+ 305.22236 190.6
[M+K]+ 326.15170 173.2
[M+H-H2O]+ 270.18580 163.6
[M+HCOO]- 332.18674 186.6
[M+CH3COO]- 346.20239 203.0
[M+Na-2H]- 308.16321 171.8
[M]+ 287.18799 170.3
[M]- 287.18909 170.3
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

patents stripe