CID 12304904

20429-79-2

Structural Information

Molecular Formula
C12H22O11
SMILES
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)O)O)O)O
InChI
InChI=1S/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11?,12+/m1/s1
InChIKey
HIWPGCMGAMJNRG-RTPHMHGBSA-N
Compound name
(3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1455
Patents

342.1162 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12348 174.7
[M+Na]+ 365.10542 178.0
[M-H]- 341.10892 172.1
[M+NH4]+ 360.15002 180.1
[M+K]+ 381.07936 178.7
[M+H-H2O]+ 325.11346 168.3
[M+HCOO]- 387.11440 178.6
[M+CH3COO]- 401.13005 198.9
[M+Na-2H]- 363.09087 172.0
[M]+ 342.11565 171.2
[M]- 342.11675 171.2
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