CID 22965756

1098432-96-2

Structural Information

Molecular Formula

C₁₁H₂₀O₃

SMILES

CC1(CC(CC(O1)(C)C)CC(=O)O)C

InChI

InChI=1S/C11H20O3/c1-10(2)6-8(5-9(12)13)7-11(3,4)14-10/h8H,5-7H2,1-4H3,(H,12,13)

InChIKey

OXEUBCJBWRLTDT-UHFFFAOYSA-N

Compound name

2-(2,2,6,6-tetramethyloxan-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 200.14125 Da
Monoisotopic Mass: 1.6
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]+	201.14853	142.6
[M+Na]+	223.13047	149.4
[M-H]-	199.13397	145.6
[M+NH4]+	218.17507	164.2
[M+K]+	239.10441	149.9
[M+H-H2O]+	183.13851	139.4
[M+HCOO]-	245.13945	159.6
[M+CH3COO]-	259.15510	183.6
[M+Na-2H]-	221.11592	147.6
[M]+	200.14070	142.4
[M]-	200.14180	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe