CID 9855868

Kainate lactone

Structural Information

Molecular Formula
C10H15NO4
SMILES
CC1([C@H]2CN[C@@H]([C@H]2CC(=O)O1)C(=O)O)C
InChI
InChI=1S/C10H15NO4/c1-10(2)6-4-11-8(9(13)14)5(6)3-7(12)15-10/h5-6,8,11H,3-4H2,1-2H3,(H,13,14)/t5-,6-,8-/m0/s1
InChIKey
GPHFPCZKKXKXCJ-HAFWLYHUSA-N
Compound name
(1S,3aR,7aS)-4,4-dimethyl-6-oxo-1,2,3,3a,7,7a-hexahydropyrano[3,4-c]pyrrole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

213.10011 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 146.7
[M+Na]+ 236.08933 154.8
[M+NH4]+ 231.13393 154.4
[M+K]+ 252.06327 151.9
[M-H]- 212.09283 146.3
[M+Na-2H]- 234.07478 147.5
[M]+ 213.09956 147.4
[M]- 213.10066 147.4
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.