CID 3057562

Acetic acid, 2-cyclohexyl-2-phenyl-, tropan-3-yl ester

Structural Information

Molecular Formula
C22H31NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C(C3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H31NO2/c1-23-18-12-13-19(23)15-20(14-18)25-22(24)21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-21H,3,6-7,10-15H2,1H3
InChIKey
KBGLDJNAMYFACL-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-cyclohexyl-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.23547 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 186.0
[M+Na]+ 364.22469 195.5
[M+NH4]+ 359.26929 194.7
[M+K]+ 380.19863 189.8
[M-H]- 340.22819 190.2
[M+Na-2H]- 362.21014 189.2
[M]+ 341.23492 188.3
[M]- 341.23602 188.3
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

No patent data available for this compound.