CID 45117338

2225137-21-1

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CC1=CN=C(C=N1)CC(=O)O

InChI

InChI=1S/C7H8N2O2/c1-5-3-9-6(4-8-5)2-7(10)11/h3-4H,2H2,1H3,(H,10,11)

InChIKey

XXSBUDAMUZHBRX-UHFFFAOYSA-N

Compound name

2-(5-methylpyrazin-2-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 152.05858 Da
Monoisotopic Mass: -0.3
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]+	153.06586	130.2
[M+Na]+	175.04780	142.6
[M+NH4]+	170.09240	137.1
[M+K]+	191.02174	137.8
[M-H]-	151.05130	129.9
[M+Na-2H]-	173.03325	136.3
[M]+	152.05803	131.6
[M]-	152.05913	131.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe