CID 45079708

209915-44-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

literature stripe

Patent stripe

patents stripe