CID 219890

D-erythro-d-galacto-octitol

Structural Information

Molecular Formula
C8H18O8
SMILES
C(C(C(C(C(C(C(CO)O)O)O)O)O)O)O
InChI
InChI=1S/C8H18O8/c9-1-3(11)5(13)7(15)8(16)6(14)4(12)2-10/h3-16H,1-2H2
InChIKey
DRDSDQVQSRICML-UHFFFAOYSA-N
Compound name
octane-1,2,3,4,5,6,7,8-octol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

746
Patents

242.10017 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10745 154.0
[M+Na]+ 265.08939 154.8
[M-H]- 241.09289 142.6
[M+NH4]+ 260.13399 164.7
[M+K]+ 281.06333 155.0
[M+H-H2O]+ 225.09743 149.0
[M+HCOO]- 287.09837 160.7
[M+CH3COO]- 301.11402 177.8
[M+Na-2H]- 263.07484 148.2
[M]+ 242.09962 148.5
[M]- 242.10072 148.5
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