CID 3054358

2-pyrrolidineethanol, alpha-(3-methoxyphenyl)-1-methyl-, acetate (ester), (r*,s*)-

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC(=O)O[C@H](C[C@@H]1CCCN1C)C2=CC(=CC=C2)OC
InChI
InChI=1S/C16H23NO3/c1-12(18)20-16(11-14-7-5-9-17(14)2)13-6-4-8-15(10-13)19-3/h4,6,8,10,14,16H,5,7,9,11H2,1-3H3/t14-,16+/m0/s1
InChIKey
KBSXWGAHGUUBFZ-GOEBONIOSA-N
Compound name
[(1R)-1-(3-methoxyphenyl)-2-[(2S)-1-methylpyrrolidin-2-yl]ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

277.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.7
[M+Na]+ 300.15702 176.8
[M+NH4]+ 295.20162 173.5
[M+K]+ 316.13096 173.1
[M-H]- 276.16052 168.5
[M+Na-2H]- 298.14247 171.1
[M]+ 277.16725 168.4
[M]- 277.16835 168.4
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