CID 22326130

4415-79-6

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

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

InChI

InChI=1S/C7H10O4/c8-6(9)5(7(10)11)4-2-1-3-4/h4-5H,1-3H2,(H,8,9)(H,10,11)

InChIKey

FAMILBFBZCRHRZ-UHFFFAOYSA-N

Compound name

2-cyclobutylpropanedioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 158.0579 Da
Monoisotopic Mass: 1.2
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]+	159.06518	134.0
[M+Na]+	181.04712	137.3
[M-H]-	157.05062	134.4
[M+NH4]+	176.09172	146.1
[M+K]+	197.02106	140.3
[M+H-H2O]+	141.05516	123.6
[M+HCOO]-	203.05610	150.8
[M+CH3COO]-	217.07175	175.5
[M+Na-2H]-	179.03257	135.0
[M]+	158.05735	139.8
[M]-	158.05845	139.8

Literature stripe

literature stripe

Patent stripe

patents stripe