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-methoxycarbonyl-3-pyridinyl)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]+ 208.060436 141.9
[M+Na]+ 230.042378 149.7
[M-H]- 206.045884 143.1
[M+NH4]+ 225.086983 158.7
[M+K]+ 246.016318 147.9
[M+H-H2O]+ 190.050420 135.4
[M+HCOO]- 252.051361 162.9
[M+CH3COO]- 266.067011 181.5
[M+Na-2H]- 228.027826 146.1
[M]+ 207.05261142 143.5
[M]- 207.05370858 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