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
1
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]+ 147.06518 126.9
[M+Na]+ 169.04712 133.7
[M-H]- 145.05062 128.5
[M+NH4]+ 164.09172 145.8
[M+K]+ 185.02106 133.8
[M+H-H2O]+ 129.05516 122.3
[M+HCOO]- 191.05610 145.3
[M+CH3COO]- 205.07175 167.8
[M+Na-2H]- 167.03257 132.6
[M]+ 146.05735 124.3
[M]- 146.05845 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.