CID 131227140

2503203-78-7

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

C=CCCC1(CNC1)C(=O)O

InChI

InChI=1S/C8H13NO2/c1-2-3-4-8(7(10)11)5-9-6-8/h2,9H,1,3-6H2,(H,10,11)

InChIKey

BFTPYILNGZCUQQ-UHFFFAOYSA-N

Compound name

3-but-3-enylazetidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 155.09464 Da
Monoisotopic Mass: -1.9
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]+	156.10192	137.5
[M+Na]+	178.08386	141.8
[M+NH4]+	173.12846	141.2
[M+K]+	194.05780	137.5
[M-H]-	154.08736	133.2
[M+Na-2H]-	176.06931	138.9
[M]+	155.09409	135.4
[M]-	155.09519	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.