CID 23356463

Pyrrolo[1,2-a]pyrazine-8-carboxylic acid

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CN2C=CN=CC2=C1C(=O)O

InChI

InChI=1S/C8H6N2O2/c11-8(12)6-1-3-10-4-2-9-5-7(6)10/h1-5H,(H,11,12)

InChIKey

HXNHJQXAQCRRHN-UHFFFAOYSA-N

Compound name

pyrrolo[1,2-a]pyrazine-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 162.04292 Da
Monoisotopic Mass: 1.0
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]+	163.05020	129.9
[M+Na]+	185.03214	143.1
[M+NH4]+	180.07674	137.8
[M+K]+	201.00608	139.6
[M-H]-	161.03564	130.1
[M+Na-2H]-	183.01759	136.3
[M]+	162.04237	131.7
[M]-	162.04347	131.7

Literature stripe

literature stripe

Patent stripe

patents stripe