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

32
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 132.7
[M+Na]+ 186.05254 140.6
[M-H]- 162.05604 135.0
[M+NH4]+ 181.09714 152.0
[M+K]+ 202.02648 138.9
[M+H-H2O]+ 146.06058 126.1
[M+HCOO]- 208.06152 155.9
[M+CH3COO]- 222.07717 175.7
[M+Na-2H]- 184.03799 139.8
[M]+ 163.06277 133.8
[M]- 163.06387 133.8
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