CID 54467051

151223-12-0

Structural Information

Molecular Formula

C₁₁H₂₂O₃

SMILES

CC(C)C1(OC[C@@H](O1)CCO)C(C)C

InChI

InChI=1S/C11H22O3/c1-8(2)11(9(3)4)13-7-10(14-11)5-6-12/h8-10,12H,5-7H2,1-4H3/t10-/m0/s1

InChIKey

XFPZNMFFBDUEGH-JTQLQIEISA-N

Compound name

2-[(4S)-2,2-di(propan-2-yl)-1,3-dioxolan-4-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 202.15689 Da
Monoisotopic Mass: 2.1
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]+	203.16417	147.5
[M+Na]+	225.14611	155.8
[M+NH4]+	220.19071	155.9
[M+K]+	241.12005	152.6
[M-H]-	201.14961	149.7
[M+Na-2H]-	223.13156	149.9
[M]+	202.15634	149.3
[M]-	202.15744	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe