CID 5371888

59607-99-7

Structural Information

Molecular Formula
C10H11NO2
SMILES
CCOC(=O)/C=C/C1=CN=CC=C1
InChI
InChI=1S/C10H11NO2/c1-2-13-10(12)6-5-9-4-3-7-11-8-9/h3-8H,2H2,1H3/b6-5+
InChIKey
PIEQSBWGIODYPE-AATRIKPKSA-N
Compound name
ethyl (E)-3-pyridin-3-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

177.07898 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.4
[M+Na]+ 200.06820 144.8
[M-H]- 176.07170 139.5
[M+NH4]+ 195.11280 156.1
[M+K]+ 216.04214 142.9
[M+H-H2O]+ 160.07624 130.6
[M+HCOO]- 222.07718 160.3
[M+CH3COO]- 236.09283 178.7
[M+Na-2H]- 198.05365 144.0
[M]+ 177.07843 138.9
[M]- 177.07953 138.9
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