CID 95468

6265-26-5

Structural Information

Molecular Formula

C₁₃H₂₄O₃

SMILES

C1CC(OC1)CCC(CCC2CCCO2)O

InChI

InChI=1S/C13H24O3/c14-11(5-7-12-3-1-9-15-12)6-8-13-4-2-10-16-13/h11-14H,1-10H2

InChIKey

LUHCIVTXMZJREB-UHFFFAOYSA-N

Compound name

1,5-bis(oxolan-2-yl)pentan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 228.17255 Da
Monoisotopic Mass: 1.9
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]+	229.17983	157.6
[M+Na]+	251.16177	159.5
[M-H]-	227.16527	162.4
[M+NH4]+	246.20637	175.0
[M+K]+	267.13571	160.0
[M+H-H2O]+	211.16981	152.2
[M+HCOO]-	273.17075	174.1
[M+CH3COO]-	287.18640	185.3
[M+Na-2H]-	249.14722	157.4
[M]+	228.17200	155.1
[M]-	228.17310	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe