CID 505903

(2r,4r)-4-amino-2-[(1r,2r)-1,2,3-trihydroxypropyl]-3,4-dihydro-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula
C9H15NO6
SMILES
C1[C@H](C=C(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)N
InChI
InChI=1S/C9H15NO6/c10-4-1-6(8(13)5(12)3-11)16-7(2-4)9(14)15/h2,4-6,8,11-13H,1,3,10H2,(H,14,15)/t4-,5-,6-,8-/m1/s1
InChIKey
BGWJTJZSRNTACT-UAKXSSHOSA-N
Compound name
(2R,4R)-4-amino-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08994 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.097216 150.9
[M+Na]+ 256.079158 154.5
[M-H]- 232.082664 148.9
[M+NH4]+ 251.123763 163.6
[M+K]+ 272.053098 154.4
[M+H-H2O]+ 216.087200 145.0
[M+HCOO]- 278.088141 164.3
[M+CH3COO]- 292.103791 184.6
[M+Na-2H]- 254.064606 150.2
[M]+ 233.08939142 146.1
[M]- 233.09048858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.