CID 21897336

734532-95-7

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C=CCOC1=NC=C(N=C1)C(=O)O

InChI

InChI=1S/C8H8N2O3/c1-2-3-13-7-5-9-6(4-10-7)8(11)12/h2,4-5H,1,3H2,(H,11,12)

InChIKey

YOIBXOWUEHVBBM-UHFFFAOYSA-N

Compound name

5-prop-2-enoxypyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 180.0535 Da
Monoisotopic Mass: 0.6
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]+	181.06078	136.9
[M+Na]+	203.04272	148.7
[M+NH4]+	198.08732	142.8
[M+K]+	219.01666	144.1
[M-H]-	179.04622	135.9
[M+Na-2H]-	201.02817	142.2
[M]+	180.05295	138.0
[M]-	180.05405	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe