CID 21696861

288083-60-3

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CN(C)C(=O)C1=NC=C(C=C1)C(=O)O
InChI
InChI=1S/C9H10N2O3/c1-11(2)8(12)7-4-3-6(5-10-7)9(13)14/h3-5H,1-2H3,(H,13,14)
InChIKey
SDZYBFWUMWGSNG-UHFFFAOYSA-N
Compound name
6-(dimethylcarbamoyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

194.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 139.4
[M+Na]+ 217.05836 146.6
[M-H]- 193.06186 142.1
[M+NH4]+ 212.10296 157.1
[M+K]+ 233.03230 146.4
[M+H-H2O]+ 177.06640 132.6
[M+HCOO]- 239.06734 161.8
[M+CH3COO]- 253.08299 186.3
[M+Na-2H]- 215.04381 143.7
[M]+ 194.06859 140.4
[M]- 194.06969 140.4
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

patents stripe