CID 17859818

1367948-67-1

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

C1C(CC2=NC=CN=C21)C(=O)O

InChI

InChI=1S/C8H8N2O2/c11-8(12)5-3-6-7(4-5)10-2-1-9-6/h1-2,5H,3-4H2,(H,11,12)

InChIKey

DOAFBKVQCVWJOW-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-cyclopenta[b]pyrazine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.05858 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]+	165.065856	132.0
[M+Na]+	187.047798	140.6
[M-H]-	163.051304	132.7
[M+NH4]+	182.092403	152.0
[M+K]+	203.021738	138.4
[M+H-H2O]+	147.055840	125.4
[M+HCOO]-	209.056781	151.6
[M+CH3COO]-	223.072431	174.0
[M+Na-2H]-	185.033246	137.9
[M]+	164.05803142	130.7
[M]-	164.05912858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.