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]+ 234.09722 150.9
[M+Na]+ 256.07916 154.5
[M-H]- 232.08266 148.9
[M+NH4]+ 251.12376 163.6
[M+K]+ 272.05310 154.4
[M+H-H2O]+ 216.08720 145.0
[M+HCOO]- 278.08814 164.3
[M+CH3COO]- 292.10379 184.6
[M+Na-2H]- 254.06461 150.2
[M]+ 233.08939 146.1
[M]- 233.09049 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.