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 145.4
[M+Na]+ 236.08933 152.6
[M-H]- 212.09283 146.3
[M+NH4]+ 231.13393 165.0
[M+K]+ 252.06327 151.2
[M+H-H2O]+ 196.09737 141.2
[M+HCOO]- 258.09831 159.3
[M+CH3COO]- 272.11396 181.6
[M+Na-2H]- 234.07478 148.0
[M]+ 213.09956 142.2
[M]- 213.10066 142.2
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.