CID 54758973

2-(3-methyloxetan-3-yl)acetic acid

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

CC1(COC1)CC(=O)O

InChI

InChI=1S/C6H10O3/c1-6(2-5(7)8)3-9-4-6/h2-4H2,1H3,(H,7,8)

InChIKey

CWBDORJPANBOOX-UHFFFAOYSA-N

Compound name

2-(3-methyloxetan-3-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 68
Patents: 130.06299 Da
Monoisotopic Mass: 0.0
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]+	131.07027	126.1
[M+Na]+	153.05221	131.5
[M+NH4]+	148.09681	130.9
[M+K]+	169.02615	128.2
[M-H]-	129.05571	124.3
[M+Na-2H]-	151.03766	128.6
[M]+	130.06244	125.1
[M]-	130.06354	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe