CID 64266379

1344086-34-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₃

SMILES

CC(C)OC1=NC=C(N=C1)C(=O)O

InChI

InChI=1S/C8H10N2O3/c1-5(2)13-7-4-9-6(3-10-7)8(11)12/h3-5H,1-2H3,(H,11,12)

InChIKey

VJNSNJLSAALFQE-UHFFFAOYSA-N

Compound name

5-propan-2-yloxypyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 182.06914 Da
Monoisotopic Mass: 0.7
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]+	183.07642	137.5
[M+Na]+	205.05836	148.9
[M+NH4]+	200.10296	143.6
[M+K]+	221.03230	145.2
[M-H]-	181.06186	136.5
[M+Na-2H]-	203.04381	142.5
[M]+	182.06859	138.5
[M]-	182.06969	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe