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

34
Patents

163.06332 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 132.7
[M+Na]+ 186.052538 140.6
[M-H]- 162.056044 135.0
[M+NH4]+ 181.097143 152.0
[M+K]+ 202.026478 138.9
[M+H-H2O]+ 146.060580 126.1
[M+HCOO]- 208.061521 155.9
[M+CH3COO]- 222.077171 175.7
[M+Na-2H]- 184.037986 139.8
[M]+ 163.06277142 133.8
[M]- 163.06386858 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