CID 37838

37830-21-0

Structural Information

Molecular Formula
C19H27NO3
SMILES
CN1CCC(CC1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H27NO3/c1-20-13-11-17(12-14-20)23-18(21)19(22,16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,16-17,22H,5-6,9-14H2,1H3
InChIKey
DZFJGXMHIMAYMW-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

317.1991 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 177.6
[M+Na]+ 340.18832 178.6
[M-H]- 316.19182 182.7
[M+NH4]+ 335.23292 190.5
[M+K]+ 356.16226 175.4
[M+H-H2O]+ 300.19636 169.1
[M+HCOO]- 362.19730 190.5
[M+CH3COO]- 376.21295 201.7
[M+Na-2H]- 338.17377 176.5
[M]+ 317.19855 170.8
[M]- 317.19965 170.8
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