CID 57356564

Schembl27290734

Structural Information

Molecular Formula
C8H16O4
SMILES
CCC1(O[C@H]([C@@H](O1)CO)CO)C
InChI
InChI=1S/C8H16O4/c1-3-8(2)11-6(4-9)7(5-10)12-8/h6-7,9-10H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey
JIZFDENKQQMMQA-BQBZGAKWSA-N
Compound name
[(4S,5S)-2-ethyl-5-(hydroxymethyl)-2-methyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

176.10486 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.112136 136.3
[M+Na]+ 199.094078 143.7
[M-H]- 175.097584 138.5
[M+NH4]+ 194.138683 156.6
[M+K]+ 215.068018 144.7
[M+H-H2O]+ 159.102120 133.0
[M+HCOO]- 221.103061 154.8
[M+CH3COO]- 235.118711 174.1
[M+Na-2H]- 197.079526 142.0
[M]+ 176.10431142 138.0
[M]- 176.10540858 138.0
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

patents stripe