CID 270738

Pentane-1,2,3,4-tetrol

Structural Information

Molecular Formula

C₅H₁₂O₄

SMILES

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

InChI

InChI=1S/C5H12O4/c1-3(7)5(9)4(8)2-6/h3-9H,2H2,1H3

InChIKey

FJGNTEKSQVNVTJ-UHFFFAOYSA-N

Compound name

pentane-1,2,3,4-tetrol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 2857
Patents: 136.07356 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]+	137.08084	129.9
[M+Na]+	159.06278	135.0
[M-H]-	135.06628	124.7
[M+NH4]+	154.10738	148.6
[M+K]+	175.03672	134.7
[M+H-H2O]+	119.07082	125.9
[M+HCOO]-	181.07176	145.8
[M+CH3COO]-	195.08741	164.6
[M+Na-2H]-	157.04823	131.3
[M]+	136.07301	126.9
[M]-	136.07411	126.9

Literature stripe

literature stripe

Patent stripe

patents stripe