CID 23454818

86649-58-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.07423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 133.6
[M+Na]+ 189.06345 141.0
[M-H]- 165.06695 134.8
[M+NH4]+ 184.10805 151.8
[M+K]+ 205.03739 139.1
[M+H-H2O]+ 149.07149 127.0
[M+HCOO]- 211.07243 156.4
[M+CH3COO]- 225.08808 178.3
[M+Na-2H]- 187.04890 140.2
[M]+ 166.07368 132.9
[M]- 166.07478 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

patents stripe