CID 449222

2-deoxy-2-acetamido-mannitol

Structural Information

Molecular Formula
C8H17NO6
SMILES
CC(=O)N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O
InChI
InChI=1S/C8H17NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h5-8,10-11,13-15H,2-3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1
InChIKey
DWAICOVNOFPYLS-WCTZXXKLSA-N
Compound name
N-[(2R,3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.10559 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11287 151.1
[M+Na]+ 246.09481 153.2
[M-H]- 222.09831 143.9
[M+NH4]+ 241.13941 164.7
[M+K]+ 262.06875 153.2
[M+H-H2O]+ 206.10285 145.7
[M+HCOO]- 268.10379 164.2
[M+CH3COO]- 282.11944 181.9
[M+Na-2H]- 244.08026 148.2
[M]+ 223.10504 147.2
[M]- 223.10614 147.2
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