CID 28180224

1568017-07-1

Structural Information

Molecular Formula

C₉H₁₃NO₃

SMILES

C=CC(=O)N1CCC[C@H](C1)C(=O)O

InChI

InChI=1S/C9H13NO3/c1-2-8(11)10-5-3-4-7(6-10)9(12)13/h2,7H,1,3-6H2,(H,12,13)/t7-/m1/s1

InChIKey

VBROFLVSVXVQEG-SSDOTTSWSA-N

Compound name

(3R)-1-prop-2-enoylpiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 183.08954 Da
Monoisotopic Mass: 0.3
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]+	184.09682	139.6
[M+Na]+	206.07876	144.8
[M-H]-	182.08226	139.8
[M+NH4]+	201.12336	157.1
[M+K]+	222.05270	143.3
[M+H-H2O]+	166.08680	133.6
[M+HCOO]-	228.08774	156.3
[M+CH3COO]-	242.10339	178.2
[M+Na-2H]-	204.06421	141.3
[M]+	183.08899	135.1
[M]-	183.09009	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe