CID 51063800

5-cyano-6-methylnicotinic acid

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

CC1=C(C=C(C=N1)C(=O)O)C#N

InChI

InChI=1S/C8H6N2O2/c1-5-6(3-9)2-7(4-10-5)8(11)12/h2,4H,1H3,(H,11,12)

InChIKey

DIHBEWMXYDGNED-UHFFFAOYSA-N

Compound name

5-cyano-6-methylpyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 162.04292 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.05020	133.1
[M+Na]+	185.03214	145.1
[M+NH4]+	180.07674	136.9
[M+K]+	201.00608	137.2
[M-H]-	161.03564	126.4
[M+Na-2H]-	183.01759	136.5
[M]+	162.04237	131.9
[M]-	162.04347	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe