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: 1
Patents: 230.06914 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.076416	148.6
[M+Na]+	253.058358	156.3
[M-H]-	229.061864	151.4
[M+NH4]+	248.102963	162.6
[M+K]+	269.032298	153.2
[M+H-H2O]+	213.066400	139.8
[M+HCOO]-	275.067341	169.3
[M+CH3COO]-	289.082991	186.2
[M+Na-2H]-	251.043806	155.5
[M]+	230.06859142	149.4
[M]-	230.06968858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe