CID 58798

101710-92-3

Structural Information

Molecular Formula
C19H25NO3
SMILES
CC1C(C2CCN1CC2)OC(=O)C(C3CC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C19H25NO3/c1-13-17(14-9-11-20(13)12-10-14)23-18(21)19(22,16-7-8-16)15-5-3-2-4-6-15/h2-6,13-14,16-17,22H,7-12H2,1H3
InChIKey
NGPCIRTYPXETNI-UHFFFAOYSA-N
Compound name
(2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopropyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.19072 174.9
[M+Na]+ 338.17266 178.4
[M-H]- 314.17616 174.6
[M+NH4]+ 333.21726 186.4
[M+K]+ 354.14660 173.9
[M+H-H2O]+ 298.18070 167.6
[M+HCOO]- 360.18164 180.3
[M+CH3COO]- 374.19729 181.6
[M+Na-2H]- 336.15811 182.2
[M]+ 315.18289 177.3
[M]- 315.18399 177.3
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.