CID 79425082

1-(but-3-en-1-yl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C=CCCC1(CCC1)C(=O)O

InChI

InChI=1S/C9H14O2/c1-2-3-5-9(8(10)11)6-4-7-9/h2H,1,3-7H2,(H,10,11)

InChIKey

JBVDIGGQAOGTHV-UHFFFAOYSA-N

Compound name

1-but-3-enylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.09938 Da
Monoisotopic Mass: 2.1
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]+	155.10666	136.8
[M+Na]+	177.08860	141.7
[M+NH4]+	172.13320	141.5
[M+K]+	193.06254	136.7
[M-H]-	153.09210	133.9
[M+Na-2H]-	175.07405	139.1
[M]+	154.09883	135.3
[M]-	154.09993	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe