CID 5288564

Streptol

Structural Information

Molecular Formula
C7H12O5
SMILES
C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO
InChI
InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
InChIKey
PJPGMULJEYSZBS-VZFHVOOUSA-N
Compound name
(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

49
References

230
Patents

176.06847 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07575 134.4
[M+Na]+ 199.05769 143.3
[M+NH4]+ 194.10229 140.1
[M+K]+ 215.03163 141.1
[M-H]- 175.06119 132.5
[M+Na-2H]- 197.04314 135.7
[M]+ 176.06792 134.6
[M]- 176.06902 134.6
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