CID 15942877

1-o-acetylmaltose

Structural Information

Molecular Formula
C14H24O12
SMILES
CC(=O)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C14H24O12/c1-4(17)23-13-11(22)9(20)12(6(3-16)25-13)26-14-10(21)8(19)7(18)5(2-15)24-14/h5-16,18-22H,2-3H2,1H3/t5-,6-,7-,8+,9-,10-,11-,12-,13?,14-/m1/s1
InChIKey
QBQSGZSHVKFNMZ-DURRTVQMSA-N
Compound name
[(3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.12677 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13405 182.5
[M+Na]+ 407.11599 185.1
[M-H]- 383.11949 180.9
[M+NH4]+ 402.16059 186.7
[M+K]+ 423.08993 187.2
[M+H-H2O]+ 367.12403 175.8
[M+HCOO]- 429.12497 186.7
[M+CH3COO]- 443.14062 209.0
[M+Na-2H]- 405.10144 178.6
[M]+ 384.12622 181.5
[M]- 384.12732 181.5
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

No patent data available for this compound.