CID 441618

Indicaxanthin

Structural Information

Molecular Formula
C14H17N2O6
SMILES
C1CC([N+](=CC=C2CC(NC(=C2)C(=O)O)C(=O)O)C1)C(=O)O
InChI
InChI=1S/C14H16N2O6/c17-12(18)9-6-8(7-10(15-9)13(19)20)3-5-16-4-1-2-11(16)14(21)22/h3,5-6,10-11H,1-2,4,7H2,(H3,17,18,19,20,21,22)/p+1
InChIKey
RJIIQBYZGJSODH-UHFFFAOYSA-O
Compound name
4-[2-(2-carboxypyrrolidin-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

2
Patents

309.10867 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11595 168.5
[M+Na]+ 332.09789 175.4
[M+NH4]+ 327.14249 171.4
[M+K]+ 348.07183 177.2
[M-H]- 308.10139 166.1
[M+Na-2H]- 330.08334 167.6
[M]+ 309.10812 168.1
[M]- 309.10922 168.1
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

patents stripe