CID 5383959

123530-66-5

Structural Information

Molecular Formula

C₇H₆N₂O₂

SMILES

C1=CN=C(C=N1)/C=C/C(=O)O

InChI

InChI=1S/C7H6N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h1-5H,(H,10,11)/b2-1+

InChIKey

FQBJLSSHYOOFSG-OWOJBTEDSA-N

Compound name

(E)-3-pyrazin-2-ylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 150.04292 Da
Monoisotopic Mass: -0.2
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]+	151.05020	129.8
[M+Na]+	173.03214	142.0
[M+NH4]+	168.07674	136.5
[M+K]+	189.00608	136.8
[M-H]-	149.03564	129.3
[M+Na-2H]-	171.01759	136.0
[M]+	150.04237	131.1
[M]-	150.04347	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe