CID 2050105

5-(dimethylamino)pyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

166.07423 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.1
[M+Na]+ 189.06345 140.7
[M-H]- 165.06695 135.8
[M+NH4]+ 184.10805 152.0
[M+K]+ 205.03739 140.3
[M+H-H2O]+ 149.07149 126.4
[M+HCOO]- 211.07243 156.4
[M+CH3COO]- 225.08808 181.8
[M+Na-2H]- 187.04890 139.1
[M]+ 166.07368 133.7
[M]- 166.07478 133.7
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