CID 124702

2,5-dideoxy-2,5-imino-d-mannitol

Structural Information

Molecular Formula
C6H13NO4
SMILES
C([C@@H]1[C@H]([C@@H]([C@H](N1)CO)O)O)O
InChI
InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey
PFYHYHZGDNWFIF-KVTDHHQDSA-N
Compound name
(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

754
Patents

163.08446 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.09174 134.0
[M+Na]+ 186.07368 140.8
[M+NH4]+ 181.11828 139.2
[M+K]+ 202.04762 140.7
[M-H]- 162.07718 130.7
[M+Na-2H]- 184.05913 133.7
[M]+ 163.08391 133.3
[M]- 163.08501 133.3
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

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