CID 21934875

3,3-dimethoxycyclobutanecarboxylic acid

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

COC1(CC(C1)C(=O)O)OC

InChI

InChI=1S/C7H12O4/c1-10-7(11-2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)

InChIKey

FUBIHPWDLJCHSB-UHFFFAOYSA-N

Compound name

3,3-dimethoxycyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 160.07356 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]+	161.08084	134.5
[M+Na]+	183.06278	139.2
[M+NH4]+	178.10738	138.7
[M+K]+	199.03672	136.0
[M-H]-	159.06628	130.9
[M+Na-2H]-	181.04823	136.4
[M]+	160.07301	132.8
[M]-	160.07411	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe