CID 11816007

56446-60-7

Structural Information

Molecular Formula

C₇H₁₂O₄

SMILES

CC1(OCCO1)CC(=O)OC

InChI

InChI=1S/C7H12O4/c1-7(5-6(8)9-2)10-3-4-11-7/h3-5H2,1-2H3

InChIKey

XQWIKJOOYPQOKU-UHFFFAOYSA-N

Compound name

methyl 2-(2-methyl-1,3-dioxolan-2-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 160.07356 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]+	161.080836	130.8
[M+Na]+	183.062778	137.8
[M-H]-	159.066284	135.5
[M+NH4]+	178.107383	152.5
[M+K]+	199.036718	140.9
[M+H-H2O]+	143.070820	127.0
[M+HCOO]-	205.071761	152.0
[M+CH3COO]-	219.087411	173.2
[M+Na-2H]-	181.048226	138.0
[M]+	160.07301142	133.7
[M]-	160.07410858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe