CID 137838437

2095409-91-7

Structural Information

Molecular Formula
C10H9N3O4
SMILES
CC1=NOC(=N1)COC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H9N3O4/c1-6-12-9(17-13-6)5-16-8-3-2-7(4-11-8)10(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKey
XNIORTJPUKQEOI-UHFFFAOYSA-N
Compound name
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.05931 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06659 147.8
[M+Na]+ 258.04853 157.2
[M-H]- 234.05203 150.7
[M+NH4]+ 253.09313 161.1
[M+K]+ 274.02247 156.1
[M+H-H2O]+ 218.05657 139.2
[M+HCOO]- 280.05751 167.9
[M+CH3COO]- 294.07316 186.3
[M+Na-2H]- 256.03398 152.9
[M]+ 235.05876 151.6
[M]- 235.05986 151.6
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.