CID 17789889

1211579-10-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

149.04768 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 127.8
[M+Na]+ 172.03690 136.5
[M-H]- 148.04040 129.1
[M+NH4]+ 167.08150 147.1
[M+K]+ 188.01084 134.1
[M+H-H2O]+ 132.04494 121.9
[M+HCOO]- 194.04588 149.8
[M+CH3COO]- 208.06153 172.5
[M+Na-2H]- 170.02235 134.3
[M]+ 149.04713 127.2
[M]- 149.04823 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

No literature data available for this compound.

Patent stripe

patents stripe