CID 5357688

81124-49-4

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC(=O)/C=C/C1=CC=NC=C1
InChI
InChI=1S/C9H9NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h2-7H,1H3/b3-2+
InChIKey
LDVKAIRVYWBGHI-NSCUHMNNSA-N
Compound name
methyl (E)-3-pyridin-4-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

29
Patents

163.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 134.0
[M+Na]+ 186.05254 146.6
[M+NH4]+ 181.09714 141.6
[M+K]+ 202.02648 140.4
[M-H]- 162.05604 134.8
[M+Na-2H]- 184.03799 140.8
[M]+ 163.06277 135.8
[M]- 163.06387 135.8
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