CID 43142994

4-(ethylamino)pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CCNC1=CC(=NC=C1)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-2-9-6-3-4-10-7(5-6)8(11)12/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKey
CUJGOBPLHBZMJN-UHFFFAOYSA-N
Compound name
4-(ethylamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.081506 133.6
[M+Na]+ 189.063448 141.0
[M-H]- 165.066954 134.8
[M+NH4]+ 184.108053 151.8
[M+K]+ 205.037388 139.1
[M+H-H2O]+ 149.071490 127.0
[M+HCOO]- 211.072431 156.3
[M+CH3COO]- 225.088081 178.3
[M+Na-2H]- 187.048896 140.2
[M]+ 166.07368142 132.9
[M]- 166.07477858 132.9
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

No patent data available for this compound.