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]+ 316.190716 174.9
[M+Na]+ 338.172658 178.4
[M-H]- 314.176164 174.6
[M+NH4]+ 333.217263 186.4
[M+K]+ 354.146598 173.9
[M+H-H2O]+ 298.180700 167.6
[M+HCOO]- 360.181641 180.3
[M+CH3COO]- 374.197291 181.6
[M+Na-2H]- 336.158106 182.2
[M]+ 315.18289142 177.3
[M]- 315.18398858 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.