CID 86277238

1385696-67-2

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1C(CO1)OC2=CN=CC(=C2)C(=O)O
InChI
InChI=1S/C9H9NO4/c11-9(12)6-1-7(3-10-2-6)14-8-4-13-5-8/h1-3,8H,4-5H2,(H,11,12)
InChIKey
DOMTVKLWSCSYBR-UHFFFAOYSA-N
Compound name
5-(oxetan-3-yloxy)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05316 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 133.6
[M+Na]+ 218.04238 139.4
[M-H]- 194.04588 138.1
[M+NH4]+ 213.08698 142.8
[M+K]+ 234.01632 142.8
[M+H-H2O]+ 178.05042 121.2
[M+HCOO]- 240.05136 152.8
[M+CH3COO]- 254.06701 182.4
[M+Na-2H]- 216.02783 140.1
[M]+ 195.05261 143.2
[M]- 195.05371 143.2
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.