CID 154699899

Ns00117623

Structural Information

Molecular Formula

C₁₃H₂₄O₄

SMILES

CC(CCOC1CCC2CCC(OC2C1)O)O

InChI

InChI=1S/C13H24O4/c1-9(14)6-7-16-11-4-2-10-3-5-13(15)17-12(10)8-11/h9-15H,2-8H2,1H3

InChIKey

QFEYWSNHHNNZCP-UHFFFAOYSA-N

Compound name

7-(3-hydroxybutoxy)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.16747 Da
Monoisotopic Mass: 1.2
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]+	245.17475	156.8
[M+Na]+	267.15669	165.0
[M+NH4]+	262.20129	164.2
[M+K]+	283.13063	160.7
[M-H]-	243.16019	158.4
[M+Na-2H]-	265.14214	157.2
[M]+	244.16692	158.1
[M]-	244.16802	158.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.