CID 129365160

Ascr#6.2

Structural Information

Molecular Formula
C12H24O5
SMILES
C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CC[C@@H](C)O)O)O
InChI
InChI=1S/C12H24O5/c1-7(13)4-5-8(2)16-12-11(15)6-10(14)9(3)17-12/h7-15H,4-6H2,1-3H3/t7-,8-,9+,10-,11-,12-/m1/s1
InChIKey
IIHKPFPJXRXZQS-KCUSNBPKSA-N
Compound name
(2R,3R,5R,6S)-2-[(2R,5R)-5-hydroxyhexan-2-yl]oxy-6-methyloxane-3,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.16237 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.16965 159.3
[M+Na]+ 271.15159 163.1
[M-H]- 247.15509 158.8
[M+NH4]+ 266.19619 173.4
[M+K]+ 287.12553 163.1
[M+H-H2O]+ 231.15963 153.9
[M+HCOO]- 293.16057 172.0
[M+CH3COO]- 307.17622 189.9
[M+Na-2H]- 269.13704 158.1
[M]+ 248.16182 158.2
[M]- 248.16292 158.2
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.