CID 178653

Haliclonol

Structural Information

Molecular Formula
C6H10O4
SMILES
C1[C@H](OC[C@@H](C1=O)O)CO
InChI
InChI=1S/C6H10O4/c7-2-4-1-5(8)6(9)3-10-4/h4,6-7,9H,1-3H2/t4-,6-/m0/s1
InChIKey
PBWGPVKLJDUIJH-NJGYIYPDSA-N
Compound name
(2S,5S)-5-hydroxy-2-(hydroxymethyl)oxan-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

146.0579 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.065176 126.9
[M+Na]+ 169.047118 133.7
[M-H]- 145.050624 128.5
[M+NH4]+ 164.091723 145.8
[M+K]+ 185.021058 133.8
[M+H-H2O]+ 129.055160 122.3
[M+HCOO]- 191.056101 145.3
[M+CH3COO]- 205.071751 167.8
[M+Na-2H]- 167.032566 132.6
[M]+ 146.05735142 124.3
[M]- 146.05844858 124.3
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

No patent data available for this compound.