CID 16154

Unii-us46xlx8yh

Structural Information

Molecular Formula
C20H29NO3
SMILES
CCN1CCCC1COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H29NO3/c1-2-21-14-8-13-18(21)15-24-19(22)20(23,17-11-6-7-12-17)16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3
InChIKey
QQJCHGFBFHJEGB-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-2-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

1
Patents

331.21475 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 182.9
[M+Na]+ 354.20397 184.4
[M-H]- 330.20747 188.6
[M+NH4]+ 349.24857 197.3
[M+K]+ 370.17791 181.1
[M+H-H2O]+ 314.21201 175.1
[M+HCOO]- 376.21295 197.9
[M+CH3COO]- 390.22860 204.3
[M+Na-2H]- 352.18942 179.8
[M]+ 331.21420 178.9
[M]- 331.21530 178.9
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