CID 121552250

Methyl 3-(pyridin-4-yl)but-2-enoate

Structural Information

Molecular Formula
C10H11NO2
SMILES
C/C(=C\C(=O)OC)/C1=CC=NC=C1
InChI
InChI=1S/C10H11NO2/c1-8(7-10(12)13-2)9-3-5-11-6-4-9/h3-7H,1-2H3/b8-7+
InChIKey
SSEZPUXYGJOUOC-BQYQJAHWSA-N
Compound name
methyl (E)-3-pyridin-4-ylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.4
[M+Na]+ 200.06820 144.6
[M-H]- 176.07170 139.6
[M+NH4]+ 195.11280 156.1
[M+K]+ 216.04214 143.2
[M+H-H2O]+ 160.07624 130.8
[M+HCOO]- 222.07718 159.3
[M+CH3COO]- 236.09283 179.6
[M+Na-2H]- 198.05365 142.8
[M]+ 177.07843 138.3
[M]- 177.07953 138.3
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

No patent data available for this compound.