CID 3064010

101932-04-1

Structural Information

Molecular Formula

C₁₆H₂₇NO₃

SMILES

CC(=C)C(C1CCCC1)(C(=O)OC2CCN(CC2)C)O

InChI

InChI=1S/C16H27NO3/c1-12(2)16(19,13-6-4-5-7-13)15(18)20-14-8-10-17(3)11-9-14/h13-14,19H,1,4-11H2,2-3H3

InChIKey

YXQHNBSCRZRLDI-UHFFFAOYSA-N

Compound name

(1-methylpiperidin-4-yl) 2-cyclopentyl-2-hydroxy-3-methylbut-3-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.1991 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.206376	170.4
[M+Na]+	304.188318	171.7
[M-H]-	280.191824	172.5
[M+NH4]+	299.232923	185.3
[M+K]+	320.162258	169.6
[M+H-H2O]+	264.196360	163.6
[M+HCOO]-	326.197301	182.2
[M+CH3COO]-	340.212951	196.9
[M+Na-2H]-	302.173766	167.6
[M]+	281.19855142	164.0
[M]-	281.19964858	164.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.