CID 270048

26365-85-5

Structural Information

Molecular Formula
C13H17N3O2
SMILES
C1CCC2=C(C1)C(=NN2)CC3CC(=O)NC(=O)C3
InChI
InChI=1S/C13H17N3O2/c17-12-6-8(7-13(18)14-12)5-11-9-3-1-2-4-10(9)15-16-11/h8H,1-7H2,(H,15,16)(H,14,17,18)
InChIKey
UBBPYSBRGBQMLR-UHFFFAOYSA-N
Compound name
4-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperidine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 159.0
[M+Na]+ 270.121298 164.6
[M-H]- 246.124804 158.9
[M+NH4]+ 265.165903 173.2
[M+K]+ 286.095238 159.0
[M+H-H2O]+ 230.129340 150.3
[M+HCOO]- 292.130281 170.7
[M+CH3COO]- 306.145931 167.9
[M+Na-2H]- 268.106746 159.5
[M]+ 247.13153142 150.6
[M]- 247.13262858 150.6
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

No patent data available for this compound.