CID 74888385

5-ethynyl-6-methylpyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H7NO2
SMILES
CC1=C(C=C(C=N1)C(=O)O)C#C
InChI
InChI=1S/C9H7NO2/c1-3-7-4-8(9(11)12)5-10-6(7)2/h1,4-5H,2H3,(H,11,12)
InChIKey
WHUGHTNOXDPNSV-UHFFFAOYSA-N
Compound name
5-ethynyl-6-methylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.04768 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 132.3
[M+Na]+ 184.03690 143.4
[M-H]- 160.04040 132.4
[M+NH4]+ 179.08150 149.2
[M+K]+ 200.01084 139.9
[M+H-H2O]+ 144.04494 120.5
[M+HCOO]- 206.04588 148.2
[M+CH3COO]- 220.06153 184.6
[M+Na-2H]- 182.02235 136.5
[M]+ 161.04713 127.0
[M]- 161.04823 127.0
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

No patent data available for this compound.