CID 23061538

Lithium(1+) 5-ethenylpyridine-2-carboxylate

Structural Information

Molecular Formula
C8H7NO2
SMILES
C=CC1=CN=C(C=C1)C(=O)O
InChI
InChI=1S/C8H7NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h2-5H,1H2,(H,10,11)
InChIKey
ADRIIDWWYDDLIH-UHFFFAOYSA-N
Compound name
5-ethenylpyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

149.04768 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 127.8
[M+Na]+ 172.036898 136.5
[M-H]- 148.040404 129.1
[M+NH4]+ 167.081503 147.1
[M+K]+ 188.010838 134.1
[M+H-H2O]+ 132.044940 121.9
[M+HCOO]- 194.045881 149.8
[M+CH3COO]- 208.061531 172.5
[M+Na-2H]- 170.022346 134.3
[M]+ 149.04713142 127.2
[M]- 149.04822858 127.2
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