CID 18392195

17685-04-0

Structural Information

Molecular Formula
C8H14O7
SMILES
CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5+,6-,8+/m0/s1
InChIKey
IWJBVMJWSPZNJH-UQGZVRACSA-N
Compound name
(2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

544
References

586
Patents

222.07396 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08124 144.2
[M+Na]+ 245.06318 150.4
[M-H]- 221.06668 143.2
[M+NH4]+ 240.10778 158.7
[M+K]+ 261.03712 150.6
[M+H-H2O]+ 205.07122 139.3
[M+HCOO]- 267.07216 158.3
[M+CH3COO]- 281.08781 180.0
[M+Na-2H]- 243.04863 145.5
[M]+ 222.07341 143.2
[M]- 222.07451 143.2
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

patents stripe