CID 20238048

Sodium bicyclo[1.1.0]butane-1-carboxylate

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C1C2C1(C2)C(=O)O

InChI

InChI=1S/C5H6O2/c6-4(7)5-1-3(5)2-5/h3H,1-2H2,(H,6,7)

InChIKey

BIBDVCLDAHAABR-UHFFFAOYSA-N

Compound name

bicyclo[1.1.0]butane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 98.03678 Da
Monoisotopic Mass: 0.1
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]+	99.044056	108.1
[M+Na]+	121.02600	120.0
[M+NH4]+	116.07060	118.1
[M+K]+	136.99994	118.4
[M-H]-	97.029504	120.7
[M+Na-2H]-	119.01145	119.0
[M]+	98.036231	115.3
[M]-	98.037329	115.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe