CID 59170384

1866606-32-7

Structural Information

Molecular Formula

C₁₀H₂₀O₃

SMILES

CC(C)(C)C(C(=O)O)OC(C)(C)C

InChI

InChI=1S/C10H20O3/c1-9(2,3)7(8(11)12)13-10(4,5)6/h7H,1-6H3,(H,11,12)

InChIKey

OADAPUJHLBFGOF-UHFFFAOYSA-N

Compound name

3,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 188.14125 Da
Monoisotopic Mass: 2.4
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]+	189.14853	143.3
[M+Na]+	211.13047	149.4
[M-H]-	187.13397	142.4
[M+NH4]+	206.17507	162.8
[M+K]+	227.10441	150.0
[M+H-H2O]+	171.13851	139.9
[M+HCOO]-	233.13945	160.3
[M+CH3COO]-	247.15510	182.7
[M+Na-2H]-	209.11592	147.2
[M]+	188.14070	145.5
[M]-	188.14180	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe