CID 106822824

2154666-54-1

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

COC1CC(C1)CC(=O)O

InChI

InChI=1S/C7H12O3/c1-10-6-2-5(3-6)4-7(8)9/h5-6H,2-4H2,1H3,(H,8,9)

InChIKey

GJDOHSXKPHZCBQ-UHFFFAOYSA-N

Compound name

2-(3-methoxycyclobutyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 144.07864 Da
Monoisotopic Mass: 0.4
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]+	145.08592	130.6
[M+Na]+	167.06786	135.7
[M+NH4]+	162.11246	134.0
[M+K]+	183.04180	133.6
[M-H]-	143.07136	127.6
[M+Na-2H]-	165.05331	131.4
[M]+	144.07809	129.0
[M]-	144.07919	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe