CID 136576256

2228571-37-5

Structural Information

Molecular Formula

C₆H₈O₅

SMILES

C1C(CC1(C(=O)O)O)C(=O)O

InChI

InChI=1S/C6H8O5/c7-4(8)3-1-6(11,2-3)5(9)10/h3,11H,1-2H2,(H,7,8)(H,9,10)

InChIKey

GGRRVOGSNSSIJE-UHFFFAOYSA-N

Compound name

1-hydroxycyclobutane-1,3-dicarboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.03717 Da
Monoisotopic Mass: -1.0
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]+	161.04445	136.2
[M+Na]+	183.02639	139.2
[M+NH4]+	178.07099	138.8
[M+K]+	199.00033	137.8
[M-H]-	159.02989	130.5
[M+Na-2H]-	181.01184	135.9
[M]+	160.03662	133.4
[M]-	160.03772	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe