CID 13764974

1074-73-3

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

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

InChI

InChI=1S/C7H10O4/c8-5(9)4-7(6(10)11)2-1-3-7/h1-4H2,(H,8,9)(H,10,11)

InChIKey

KUFAUKOOXXSLJL-UHFFFAOYSA-N

Compound name

1-(carboxymethyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 158.0579 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]+	159.065176	134.2
[M+Na]+	181.047118	138.8
[M-H]-	157.050624	135.0
[M+NH4]+	176.091723	148.5
[M+K]+	197.021058	141.3
[M+H-H2O]+	141.055160	125.4
[M+HCOO]-	203.056101	152.0
[M+CH3COO]-	217.071751	174.2
[M+Na-2H]-	179.032566	137.8
[M]+	158.05735142	141.0
[M]-	158.05844858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe