CID 121199715

2309464-23-9

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

C1CC2=NNC(=O)C=C2CC1N

InChI

InChI=1S/C8H11N3O/c9-6-1-2-7-5(3-6)4-8(12)11-10-7/h4,6H,1-3,9H2,(H,11,12)

InChIKey

OVHSCOGWMFVMOJ-UHFFFAOYSA-N

Compound name

6-amino-5,6,7,8-tetrahydro-2H-cinnolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 165.09021 Da
Monoisotopic Mass: -0.9
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]+	166.09749	133.2
[M+Na]+	188.07943	141.5
[M-H]-	164.08293	133.3
[M+NH4]+	183.12403	151.2
[M+K]+	204.05337	137.6
[M+H-H2O]+	148.08747	126.2
[M+HCOO]-	210.08841	151.8
[M+CH3COO]-	224.10406	145.3
[M+Na-2H]-	186.06488	140.7
[M]+	165.08966	127.7
[M]-	165.09076	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe