CID 165655262

2228457-50-7

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

CC1(COC1)C(C(=O)OC)O

InChI

InChI=1S/C7H12O4/c1-7(3-11-4-7)5(8)6(9)10-2/h5,8H,3-4H2,1-2H3

InChIKey

FXCHZKFMLHCPFC-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-2-(3-methyloxetan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.07356 Da
Monoisotopic Mass: -0.2
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]+	161.08084	135.1
[M+Na]+	183.06278	139.5
[M+NH4]+	178.10738	139.0
[M+K]+	199.03672	137.1
[M-H]-	159.06628	132.5
[M+Na-2H]-	181.04823	136.4
[M]+	160.07301	133.6
[M]-	160.07411	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.