CID 137944546

Methyl 2-(4-hydroxyoxan-2-yl)acetate

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

COC(=O)CC1CC(CCO1)O

InChI

InChI=1S/C8H14O4/c1-11-8(10)5-7-4-6(9)2-3-12-7/h6-7,9H,2-5H2,1H3

InChIKey

DXXXGONPJOBGMC-UHFFFAOYSA-N

Compound name

methyl 2-(4-hydroxyoxan-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 174.0892 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]+	175.096476	136.3
[M+Na]+	197.078418	141.6
[M-H]-	173.081924	138.7
[M+NH4]+	192.123023	154.5
[M+K]+	213.052358	142.6
[M+H-H2O]+	157.086460	131.0
[M+HCOO]-	219.087401	154.6
[M+CH3COO]-	233.103051	175.4
[M+Na-2H]-	195.063866	140.8
[M]+	174.08865142	135.1
[M]-	174.08974858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe