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

2
Patents

183.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.060436 135.7
[M+Na]+ 206.042378 143.4
[M-H]- 182.045884 135.5
[M+NH4]+ 201.086983 152.7
[M+K]+ 222.016318 141.8
[M+H-H2O]+ 166.050420 129.4
[M+HCOO]- 228.051361 156.4
[M+CH3COO]- 242.067011 175.1
[M+Na-2H]- 204.027826 141.6
[M]+ 183.05261142 136.8
[M]- 183.05370858 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