CID 21961494

5h,6h,7h-pyrrolo[3,2-c]pyridazine

Structural Information

Molecular Formula

C₆H₇N₃

SMILES

C1CNC2=C1N=NC=C2

InChI

InChI=1S/C6H7N3/c1-3-7-5-2-4-8-9-6(1)5/h2,4,7H,1,3H2

InChIKey

FRTPMZHAGYILGC-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-pyrrolo[3,2-c]pyridazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 121.063995 Da
Monoisotopic Mass: -0.1
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]+	122.07127	122.0
[M+Na]+	144.05321	130.8
[M-H]-	120.05672	121.0
[M+NH4]+	139.09782	142.3
[M+K]+	160.02715	128.1
[M+H-H2O]+	104.06126	114.6
[M+HCOO]-	166.06220	141.4
[M+CH3COO]-	180.07785	135.2
[M+Na-2H]-	142.03866	130.8
[M]+	121.06345	118.7
[M]-	121.06454	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe