CID 49867319

N-acetylmannosaminitol

Structural Information

Molecular Formula
C8H19NO6
SMILES
C[C@@H](N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O
InChI
InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1
InChIKey
OUBSZQOZVSSBQR-SLBCVNJHSA-N
Compound name
(2R,3S,4R,5R)-5-[[(1S)-1-hydroxyethyl]amino]hexane-1,2,3,4,6-pentol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.12123 Da
Monoisotopic Mass

-3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12851 152.5
[M+Na]+ 248.11045 153.8
[M-H]- 224.11395 143.9
[M+NH4]+ 243.15505 165.3
[M+K]+ 264.08439 153.7
[M+H-H2O]+ 208.11849 147.2
[M+HCOO]- 270.11943 163.9
[M+CH3COO]- 284.13508 181.3
[M+Na-2H]- 246.09590 149.1
[M]+ 225.12068 147.6
[M]- 225.12178 147.6
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.