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

11
References

1930
Patents

136.07356 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08084 128.3
[M+Na]+ 159.06278 134.8
[M+NH4]+ 154.10738 133.6
[M+K]+ 175.03672 133.9
[M-H]- 135.06628 124.0
[M+Na-2H]- 157.04823 128.1
[M]+ 136.07301 127.3
[M]- 136.07411 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe