CID 45268

63917-17-9

Structural Information

Molecular Formula
C18H27NO3
SMILES
CCCC(C1=CC=CC=C1)(C(=O)OC2CCCN(C2)CC)O
InChI
InChI=1S/C18H27NO3/c1-3-12-18(21,15-9-6-5-7-10-15)17(20)22-16-11-8-13-19(4-2)14-16/h5-7,9-10,16,21H,3-4,8,11-14H2,1-2H3
InChIKey
UUCAQGDHTXMZSL-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) 2-hydroxy-2-phenylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20638 175.6
[M+Na]+ 328.18832 178.1
[M-H]- 304.19182 177.9
[M+NH4]+ 323.23292 187.9
[M+K]+ 344.16226 175.0
[M+H-H2O]+ 288.19636 167.3
[M+HCOO]- 350.19730 189.7
[M+CH3COO]- 364.21295 202.1
[M+Na-2H]- 326.17377 177.1
[M]+ 305.19855 173.2
[M]- 305.19965 173.2
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.