CID 25220832

1204218-41-6

Structural Information

Molecular Formula

C₉H₁₂N₂O₂

SMILES

C1CC2(CC3=C1NN=C3)OCCO2

InChI

InChI=1S/C9H12N2O2/c1-2-9(12-3-4-13-9)5-7-6-10-11-8(1)7/h6H,1-5H2,(H,10,11)

InChIKey

OYRFOTULFRTQGH-UHFFFAOYSA-N

Compound name

spiro[1,3-dioxolane-2,5'-1,4,6,7-tetrahydroindazole]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 180.08987 Da
Monoisotopic Mass: 0.4
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]+	181.09715	137.7
[M+Na]+	203.07909	148.0
[M+NH4]+	198.12369	147.8
[M+K]+	219.05303	145.1
[M-H]-	179.08259	141.3
[M+Na-2H]-	201.06454	142.0
[M]+	180.08932	140.1
[M]-	180.09042	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe