CID 506037

(2r,3r,4s)-3-acetamido-4-methyl-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2h-pyran-6-carboxylic acid

Structural Information

Molecular Formula
C14H20N2O5
SMILES
C[C@H]1C=C(O[C@H]([C@@H]1NC(=O)C)C(=O)N2CCCC2)C(=O)O
InChI
InChI=1S/C14H20N2O5/c1-8-7-10(14(19)20)21-12(11(8)15-9(2)17)13(18)16-5-3-4-6-16/h7-8,11-12H,3-6H2,1-2H3,(H,15,17)(H,19,20)/t8-,11+,12+/m0/s1
InChIKey
ULJRNRKQWRKFOM-XXILOJSOSA-N
Compound name
(2R,3R,4S)-3-acetamido-4-methyl-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-pyran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1372 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 168.4
[M+Na]+ 319.12642 172.0
[M-H]- 295.12992 172.5
[M+NH4]+ 314.17102 181.3
[M+K]+ 335.10036 171.6
[M+H-H2O]+ 279.13446 161.3
[M+HCOO]- 341.13540 183.6
[M+CH3COO]- 355.15105 202.0
[M+Na-2H]- 317.11187 165.6
[M]+ 296.13665 165.4
[M]- 296.13775 165.4
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.