CID 11434914

23519-90-6

Structural Information

Molecular Formula

C₅H₆O₂

SMILES

C1CC(=C1)C(=O)O

InChI

InChI=1S/C5H6O2/c6-5(7)4-2-1-3-4/h2H,1,3H2,(H,6,7)

InChIKey

CXUKMALSQXRODE-UHFFFAOYSA-N

Compound name

cyclobutene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 40214
Patents: 98.03678 Da
Monoisotopic Mass: 0.6
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	114.4
[M+Na]+	121.02600	121.0
[M-H]-	97.029504	117.1
[M+NH4]+	116.07060	130.4
[M+K]+	136.99994	123.6
[M+H-H2O]+	81.034040	105.1
[M+HCOO]-	143.03498	136.5
[M+CH3COO]-	157.05063	166.8
[M+Na-2H]-	119.01145	121.1
[M]+	98.036231	122.2
[M]-	98.037329	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe