CID 58408485

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

177.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 137.4
[M+Na]+ 200.068198 144.6
[M-H]- 176.071704 139.6
[M+NH4]+ 195.112803 156.1
[M+K]+ 216.042138 143.2
[M+H-H2O]+ 160.076240 130.8
[M+HCOO]- 222.077181 159.3
[M+CH3COO]- 236.092831 179.6
[M+Na-2H]- 198.053646 142.8
[M]+ 177.07843142 138.3
[M]- 177.07952858 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

literature stripe

Patent stripe

patents stripe