CID 64266387

5-(oxan-4-yloxy)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C1COCCC1OC2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C10H12N2O4/c13-10(14)8-5-12-9(6-11-8)16-7-1-3-15-4-2-7/h5-7H,1-4H2,(H,13,14)
InChIKey
NQWODRMQBZRXDF-UHFFFAOYSA-N
Compound name
5-(oxan-4-yloxy)pyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 147.0
[M+Na]+ 247.068928 152.6
[M-H]- 223.072434 149.7
[M+NH4]+ 242.113533 159.7
[M+K]+ 263.042868 152.0
[M+H-H2O]+ 207.076970 138.3
[M+HCOO]- 269.077911 163.3
[M+CH3COO]- 283.093561 183.5
[M+Na-2H]- 245.054376 152.7
[M]+ 224.07916142 144.9
[M]- 224.08025858 144.9
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.