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]+ 196.060436 133.6
[M+Na]+ 218.042378 139.4
[M-H]- 194.045884 138.1
[M+NH4]+ 213.086983 142.8
[M+K]+ 234.016318 142.8
[M+H-H2O]+ 178.050420 121.2
[M+HCOO]- 240.051361 152.8
[M+CH3COO]- 254.067011 182.4
[M+Na-2H]- 216.027826 140.1
[M]+ 195.05261142 143.2
[M]- 195.05370858 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.