CID 19962532

116193-72-7

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CC(C)C1OCC(CO1)C(=O)O

InChI

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

InChIKey

LAMFNZWIXHJCMW-UHFFFAOYSA-N

Compound name

2-propan-2-yl-1,3-dioxane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 174.0892 Da
Monoisotopic Mass: 0.7
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	136.8
[M+Na]+	197.07842	146.3
[M+NH4]+	192.12302	143.7
[M+K]+	213.05236	143.8
[M-H]-	173.08192	139.2
[M+Na-2H]-	195.06387	138.7
[M]+	174.08865	138.5
[M]-	174.08975	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe