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]+ 195.076416 139.4
[M+Na]+ 217.058358 146.6
[M-H]- 193.061864 142.1
[M+NH4]+ 212.102963 157.1
[M+K]+ 233.032298 146.4
[M+H-H2O]+ 177.066400 132.6
[M+HCOO]- 239.067341 161.8
[M+CH3COO]- 253.082991 186.3
[M+Na-2H]- 215.043806 143.7
[M]+ 194.06859142 140.4
[M]- 194.06968858 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