CID 55303276

119620-24-5

Structural Information

Molecular Formula

C₆H₁₀O₄

SMILES

C1CC(C1)(C(C(=O)O)O)O

InChI

InChI=1S/C6H10O4/c7-4(5(8)9)6(10)2-1-3-6/h4,7,10H,1-3H2,(H,8,9)

InChIKey

KNBCZPQLRVXXCE-UHFFFAOYSA-N

Compound name

2-hydroxy-2-(1-hydroxycyclobutyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 146.0579 Da
Monoisotopic Mass: -0.2
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]+	147.065176	132.6
[M+Na]+	169.047118	136.8
[M-H]-	145.050624	132.1
[M+NH4]+	164.091723	146.7
[M+K]+	185.021058	139.3
[M+H-H2O]+	129.055160	124.0
[M+HCOO]-	191.056101	149.0
[M+CH3COO]-	205.071751	169.7
[M+Na-2H]-	167.032566	136.0
[M]+	146.05735142	137.9
[M]-	146.05844858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe