CID 14865845

3-deoxypentitol

Structural Information

Molecular Formula

C₅H₁₂O₄

SMILES

C(C(CO)O)C(CO)O

InChI

InChI=1S/C5H12O4/c6-2-4(8)1-5(9)3-7/h4-9H,1-3H2

InChIKey

VHDMXHLHMMROPO-UHFFFAOYSA-N

Compound name

pentane-1,2,4,5-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14987
Patents: 136.07356 Da
Monoisotopic Mass: -2.0
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]+	137.08084	129.6
[M+Na]+	159.06278	134.9
[M-H]-	135.06628	124.3
[M+NH4]+	154.10738	148.4
[M+K]+	175.03672	134.1
[M+H-H2O]+	119.07082	125.5
[M+HCOO]-	181.07176	146.6
[M+CH3COO]-	195.08741	163.6
[M+Na-2H]-	157.04823	132.3
[M]+	136.07301	127.3
[M]-	136.07411	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe