CID 28413974

672957-98-1

Structural Information

Molecular Formula
C8H9NO4
SMILES
C1=CC(=C(N=C1)OCCO)C(=O)O
InChI
InChI=1S/C8H9NO4/c10-4-5-13-7-6(8(11)12)2-1-3-9-7/h1-3,10H,4-5H2,(H,11,12)
InChIKey
SXHVCOKUYSAVPM-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

183.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.06044 135.7
[M+Na]+ 206.04238 143.4
[M-H]- 182.04588 135.5
[M+NH4]+ 201.08698 152.7
[M+K]+ 222.01632 141.8
[M+H-H2O]+ 166.05042 129.4
[M+HCOO]- 228.05136 156.4
[M+CH3COO]- 242.06701 175.1
[M+Na-2H]- 204.02783 141.6
[M]+ 183.05261 136.8
[M]- 183.05371 136.8
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