CID 10427198

8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2,2-diphenylacetate

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1CC2CC(CC1N2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H23NO3/c23-20(25-19-13-17-11-12-18(14-19)22-17)21(24,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19,22,24H,11-14H2
InChIKey
HIIVXBCWDPCZJA-UHFFFAOYSA-N
Compound name
8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

337.1678 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 179.7
[M+Na]+ 360.15702 182.1
[M-H]- 336.16052 183.5
[M+NH4]+ 355.20162 192.7
[M+K]+ 376.13096 176.8
[M+H-H2O]+ 320.16506 171.6
[M+HCOO]- 382.16600 191.4
[M+CH3COO]- 396.18165 187.5
[M+Na-2H]- 358.14247 182.2
[M]+ 337.16725 174.0
[M]- 337.16835 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