CID 3069790

Tropyl 3,5-dimethoxybenzoate

Structural Information

Molecular Formula
C17H23NO4
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC(=CC(=C3)OC)OC
InChI
InChI=1S/C17H23NO4/c1-18-12-4-5-13(18)9-16(8-12)22-17(19)11-6-14(20-2)10-15(7-11)21-3/h6-7,10,12-13,16H,4-5,8-9H2,1-3H3
InChIKey
QTLOKEVDMMEARP-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

305.16272 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17000 171.7
[M+Na]+ 328.15194 177.7
[M-H]- 304.15544 176.0
[M+NH4]+ 323.19654 188.8
[M+K]+ 344.12588 175.5
[M+H-H2O]+ 288.15998 164.4
[M+HCOO]- 350.16092 188.2
[M+CH3COO]- 364.17657 206.0
[M+Na-2H]- 326.13739 171.8
[M]+ 305.16217 174.0
[M]- 305.16327 174.0
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

patents stripe