CID 15927667

Apiitol

Structural Information

Molecular Formula
C5H12O5
SMILES
C(C(C(CO)(CO)O)O)O
InChI
InChI=1S/C5H12O5/c6-1-4(9)5(10,2-7)3-8/h4,6-10H,1-3H2
InChIKey
SDXWEZQDLHNYFR-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)butane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

21
Patents

152.06847 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07575 132.1
[M+Na]+ 175.05769 137.5
[M-H]- 151.06119 125.5
[M+NH4]+ 170.10229 149.5
[M+K]+ 191.03163 136.2
[M+H-H2O]+ 135.06573 128.5
[M+HCOO]- 197.06667 147.1
[M+CH3COO]- 211.08232 162.9
[M+Na-2H]- 173.04314 136.4
[M]+ 152.06792 129.5
[M]- 152.06902 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.