CID 941

Nicotinate mononucleotide

Structural Information

Molecular Formula
C11H15NO9P
SMILES
C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)O
InChI
InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1
InChIKey
JOUIQRNQJGXQDC-UHFFFAOYSA-O
Compound name
1-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

55
References

3052
Patents

336.04843 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05571 166.3
[M+Na]+ 359.03765 173.8
[M+NH4]+ 354.08225 168.7
[M+K]+ 375.01159 178.3
[M-H]- 335.04115 164.7
[M+Na-2H]- 357.02310 165.9
[M]+ 336.04788 166.4
[M]- 336.04898 166.4
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