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

3
Patents

305.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.206376 175.6
[M+Na]+ 328.188318 178.1
[M-H]- 304.191824 177.9
[M+NH4]+ 323.232923 187.9
[M+K]+ 344.162258 175.0
[M+H-H2O]+ 288.196360 167.3
[M+HCOO]- 350.197301 189.7
[M+CH3COO]- 364.212951 202.1
[M+Na-2H]- 326.173766 177.1
[M]+ 305.19855142 173.2
[M]- 305.19964858 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

patents stripe