CID 75960

Ethyl 2-pyridylacetate

Structural Information

Molecular Formula
C9H11NO2
SMILES
CCOC(=O)CC1=CC=CC=N1
InChI
InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-5-3-4-6-10-8/h3-6H,2,7H2,1H3
InChIKey
IUDKTVXSXWAKJO-UHFFFAOYSA-N
Compound name
ethyl 2-pyridin-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

874
Patents

165.07898 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.9
[M+Na]+ 188.06820 141.4
[M-H]- 164.07170 136.0
[M+NH4]+ 183.11280 153.1
[M+K]+ 204.04214 140.3
[M+H-H2O]+ 148.07624 127.2
[M+HCOO]- 210.07718 156.9
[M+CH3COO]- 224.09283 177.3
[M+Na-2H]- 186.05365 141.0
[M]+ 165.07843 135.8
[M]- 165.07953 135.8
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