CID 130579

108354-43-4

Structural Information

Molecular Formula

C₉H₁₆O₇

SMILES

C1C(O1)C(C(C(C(C(C2CO2)O)O)O)O)O

InChI

InChI=1S/C9H16O7/c10-5(3-1-15-3)7(12)9(14)8(13)6(11)4-2-16-4/h3-14H,1-2H2

InChIKey

LUCBFMMOZUJPIX-UHFFFAOYSA-N

Compound name

1,5-bis(oxiran-2-yl)pentane-1,2,3,4,5-pentol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 236.0896 Da
Monoisotopic Mass: -3.1
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]+	237.09688	144.3
[M+Na]+	259.07882	148.4
[M-H]-	235.08232	146.9
[M+NH4]+	254.12342	145.7
[M+K]+	275.05276	148.3
[M+H-H2O]+	219.08686	139.0
[M+HCOO]-	281.08780	153.7
[M+CH3COO]-	295.10345	193.8
[M+Na-2H]-	257.06427	144.6
[M]+	236.08905	148.4
[M]-	236.09015	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe