CID 66709879

Schembl516314

Structural Information

Molecular Formula
C11H20O7
SMILES
CCCCCOC1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
InChI
InChI=1S/C11H20O7/c1-2-3-4-5-17-11-8(14)6(12)7(13)9(18-11)10(15)16/h6-9,11-14H,2-5H2,1H3,(H,15,16)/t6-,7-,8+,9-,11?/m0/s1
InChIKey
WBOZHVZBNFRQEI-PKTFNFCYSA-N
Compound name
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-pentoxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

360
Patents

264.1209 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12818 157.9
[M+Na]+ 287.11012 162.7
[M-H]- 263.11362 156.3
[M+NH4]+ 282.15472 170.6
[M+K]+ 303.08406 162.3
[M+H-H2O]+ 247.11816 152.4
[M+HCOO]- 309.11910 170.9
[M+CH3COO]- 323.13475 188.9
[M+Na-2H]- 285.09557 157.6
[M]+ 264.12035 157.9
[M]- 264.12145 157.9
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.