CID 25727

13118-11-1

Structural Information

Molecular Formula
C18H25NO3
SMILES
CN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3
InChIKey
OVGMKPGXRHJNKJ-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

164
Patents

303.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 173.5
[M+Na]+ 326.17266 181.2
[M+NH4]+ 321.21726 180.3
[M+K]+ 342.14660 180.1
[M-H]- 302.17616 175.8
[M+Na-2H]- 324.15811 178.0
[M]+ 303.18289 174.9
[M]- 303.18399 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe