CID 21903

5694-81-5

Structural Information

Molecular Formula

C₁₂H₂₄O₃

SMILES

CC(C)CC1(OCC(O1)CO)CC(C)C

InChI

InChI=1S/C12H24O3/c1-9(2)5-12(6-10(3)4)14-8-11(7-13)15-12/h9-11,13H,5-8H2,1-4H3

InChIKey

FKXRTSJSCQXMBP-UHFFFAOYSA-N

Compound name

[2,2-bis(2-methylpropyl)-1,3-dioxolan-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 216.17255 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]+	217.17983	152.0
[M+Na]+	239.16177	160.0
[M+NH4]+	234.20637	160.2
[M+K]+	255.13571	156.6
[M-H]-	215.16527	154.1
[M+Na-2H]-	237.14722	154.0
[M]+	216.17200	153.7
[M]-	216.17310	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe