CID 64265550

5-(benzyloxy)pyrazine-2-carboxylic acid

Structural Information

Molecular Formula
C12H10N2O3
SMILES
C1=CC=C(C=C1)COC2=NC=C(N=C2)C(=O)O
InChI
InChI=1S/C12H10N2O3/c15-12(16)10-6-14-11(7-13-10)17-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,15,16)
InChIKey
VZTKYFPCWJAPRU-UHFFFAOYSA-N
Compound name
5-phenylmethoxypyrazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.06914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 148.6
[M+Na]+ 253.05836 156.3
[M-H]- 229.06186 151.4
[M+NH4]+ 248.10296 162.6
[M+K]+ 269.03230 153.2
[M+H-H2O]+ 213.06640 139.8
[M+HCOO]- 275.06734 169.3
[M+CH3COO]- 289.08299 186.2
[M+Na-2H]- 251.04381 155.5
[M]+ 230.06859 149.4
[M]- 230.06969 149.4
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