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

19
Patents

180.08987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 135.9
[M+Na]+ 203.079088 143.2
[M-H]- 179.082594 139.3
[M+NH4]+ 198.123693 156.3
[M+K]+ 219.053028 142.9
[M+H-H2O]+ 163.087130 129.7
[M+HCOO]- 225.088071 152.0
[M+CH3COO]- 239.103721 148.5
[M+Na-2H]- 201.064536 142.2
[M]+ 180.08932142 132.3
[M]- 180.09041858 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