CID 66780172

Lithium(1+) 2-[(1r,3r)-3-hydroxycyclobutyl]acetate

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

C1C(CC1O)CC(=O)O

InChI

InChI=1S/C6H10O3/c7-5-1-4(2-5)3-6(8)9/h4-5,7H,1-3H2,(H,8,9)

InChIKey

WMKKBWKLQFLQEK-UHFFFAOYSA-N

Compound name

2-(3-hydroxycyclobutyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 130.06299 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]+	131.070266	124.8
[M+Na]+	153.052208	130.1
[M-H]-	129.055714	125.8
[M+NH4]+	148.096813	138.9
[M+K]+	169.026148	132.3
[M+H-H2O]+	113.060250	115.3
[M+HCOO]-	175.061191	143.7
[M+CH3COO]-	189.076841	170.7
[M+Na-2H]-	151.037656	128.5
[M]+	130.06244142	131.3
[M]-	130.06353858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe