CID 2050134

4-(dimethylamino)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CN(C)C1=CC(=NC=C1)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-10(2)6-3-4-9-7(5-6)8(11)12/h3-5H,1-2H3,(H,11,12)
InChIKey
VCLGAZSRYZRTSE-UHFFFAOYSA-N
Compound name
4-(dimethylamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

48
Patents

166.07423 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.7
[M+Na]+ 189.06345 145.2
[M+NH4]+ 184.10805 141.1
[M+K]+ 205.03739 140.8
[M-H]- 165.06695 134.9
[M+Na-2H]- 187.04890 140.0
[M]+ 166.07368 135.5
[M]- 166.07478 135.5
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