CID 14218

1115-20-4

Structural Information

Molecular Formula

C₁₀H₂₀O₄

SMILES

CC(C)(CO)COC(=O)C(C)(C)CO

InChI

InChI=1S/C10H20O4/c1-9(2,5-11)7-14-8(13)10(3,4)6-12/h11-12H,5-7H2,1-4H3

InChIKey

SZCWBURCISJFEZ-UHFFFAOYSA-N

Compound name

(3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14981
Patents: 204.13615 Da
Monoisotopic Mass: 0.8
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]+	205.14343	147.3
[M+Na]+	227.12537	154.2
[M+NH4]+	222.16997	152.2
[M+K]+	243.09931	152.4
[M-H]-	203.12887	142.9
[M+Na-2H]-	225.11082	147.8
[M]+	204.13560	146.7
[M]-	204.13670	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe