CID 13232

Dimethoxane

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC1CC(OC(O1)C)OC(=O)C

InChI

InChI=1S/C8H14O4/c1-5-4-8(11-6(2)9)12-7(3)10-5/h5,7-8H,4H2,1-3H3

InChIKey

PHMNXPYGVPEQSJ-UHFFFAOYSA-N

Compound name

(2,6-dimethyl-1,3-dioxan-4-yl) acetate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 69176
Patents: 174.0892 Da
Monoisotopic Mass: 1.1
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]+	175.09648	135.6
[M+Na]+	197.07842	142.4
[M-H]-	173.08192	140.5
[M+NH4]+	192.12302	153.6
[M+K]+	213.05236	145.2
[M+H-H2O]+	157.08646	130.4
[M+HCOO]-	219.08740	154.5
[M+CH3COO]-	233.10305	179.4
[M+Na-2H]-	195.06387	141.0
[M]+	174.08865	137.4
[M]-	174.08975	137.4

Literature stripe

literature stripe

Patent stripe

patents stripe