CID 25220832

2',4',6',7'-tetrahydrospiro[1,3-dioxolane-2,5'-indazole]

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.09715 135.9
[M+Na]+ 203.07909 143.2
[M-H]- 179.08259 139.3
[M+NH4]+ 198.12369 156.3
[M+K]+ 219.05303 142.9
[M+H-H2O]+ 163.08713 129.7
[M+HCOO]- 225.08807 152.0
[M+CH3COO]- 239.10372 148.5
[M+Na-2H]- 201.06454 142.2
[M]+ 180.08932 132.3
[M]- 180.09042 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe