CID 62217305

1248227-28-2

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

C=CC(=O)N1CCC(CC1)CCC(=O)O

InChI

InChI=1S/C11H17NO3/c1-2-10(13)12-7-5-9(6-8-12)3-4-11(14)15/h2,9H,1,3-8H2,(H,14,15)

InChIKey

ORJDTMQBRRAQIR-UHFFFAOYSA-N

Compound name

3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 211.12085 Da
Monoisotopic Mass: 0.9
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]+	212.128126	148.7
[M+Na]+	234.110068	153.1
[M-H]-	210.113574	148.5
[M+NH4]+	229.154673	165.1
[M+K]+	250.084008	151.0
[M+H-H2O]+	194.118110	142.3
[M+HCOO]-	256.119051	164.7
[M+CH3COO]-	270.134701	184.2
[M+Na-2H]-	232.095516	149.4
[M]+	211.12030142	145.0
[M]-	211.12139858	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe