CID 130384286

2128297-59-4

Structural Information

Molecular Formula
C10H9NO4
SMILES
COC(=O)C1=NC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C10H9NO4/c1-15-10(14)8-4-2-7(6-11-8)3-5-9(12)13/h2-6H,1H3,(H,12,13)/b5-3+
InChIKey
WTHXMLHJPKRRHS-HWKANZROSA-N
Compound name
(E)-3-(6-methoxycarbonylpyridin-3-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

207.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 141.9
[M+Na]+ 230.04238 149.7
[M-H]- 206.04588 143.1
[M+NH4]+ 225.08698 158.7
[M+K]+ 246.01632 147.9
[M+H-H2O]+ 190.05042 135.4
[M+HCOO]- 252.05136 162.9
[M+CH3COO]- 266.06701 181.5
[M+Na-2H]- 228.02783 146.1
[M]+ 207.05261 143.5
[M]- 207.05371 143.5
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