CID 5478892

4-(3-pyridyl)-3-butenoic acid

Structural Information

Molecular Formula
C9H9NO2
SMILES
C1=CC(=CN=C1)/C=C/CC(=O)O
InChI
InChI=1S/C9H9NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5H2,(H,11,12)/b3-1+
InChIKey
MHVJWSPYMHAALE-HNQUOIGGSA-N
Compound name
(E)-4-pyridin-3-ylbut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

57
Patents

163.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 134.4
[M+Na]+ 186.05254 146.5
[M+NH4]+ 181.09714 141.7
[M+K]+ 202.02648 140.5
[M-H]- 162.05604 134.7
[M+Na-2H]- 184.03799 140.6
[M]+ 163.06277 136.0
[M]- 163.06387 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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