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
2
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]+ 265.128176 157.9
[M+Na]+ 287.110118 162.7
[M-H]- 263.113624 156.3
[M+NH4]+ 282.154723 170.6
[M+K]+ 303.084058 162.3
[M+H-H2O]+ 247.118160 152.4
[M+HCOO]- 309.119101 170.9
[M+CH3COO]- 323.134751 188.9
[M+Na-2H]- 285.095566 157.6
[M]+ 264.12035142 157.9
[M]- 264.12144858 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

literature stripe

Patent stripe

patents stripe