CID 3034828

Isomalt

Structural Information

Molecular Formula
C12H24O11
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@H]([C@H]([C@@H](C(CO)O)O)O)O)O)O)O)O
InChI
InChI=1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4?,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKey
SERLAGPUMNYUCK-BLEZHGCXSA-N
Compound name
(3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

160
References

64642
Patents

344.13187 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13915 174.1
[M+Na]+ 367.12109 174.7
[M+NH4]+ 362.16569 173.1
[M+K]+ 383.09503 179.9
[M-H]- 343.12459 166.9
[M+Na-2H]- 365.10654 166.3
[M]+ 344.13132 170.8
[M]- 344.13242 170.8
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