CID 3040286

Brn 0639226

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC1=C(N2CCCN2C1=O)C

InChI

InChI=1S/C8H12N2O/c1-6-7(2)9-4-3-5-10(9)8(6)11/h3-5H2,1-2H3

InChIKey

FCSNCOKZUHPWCN-UHFFFAOYSA-N

Compound name

6,7-dimethyl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 152.09496 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]+	153.10224	131.1
[M+Na]+	175.08418	142.5
[M+NH4]+	170.12878	139.6
[M+K]+	191.05812	140.5
[M-H]-	151.08768	131.4
[M+Na-2H]-	173.06963	134.7
[M]+	152.09441	132.6
[M]-	152.09551	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe