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]+ 248.13936 159.0
[M+Na]+ 270.12130 164.6
[M-H]- 246.12480 158.9
[M+NH4]+ 265.16590 173.2
[M+K]+ 286.09524 159.0
[M+H-H2O]+ 230.12934 150.3
[M+HCOO]- 292.13028 170.7
[M+CH3COO]- 306.14593 167.9
[M+Na-2H]- 268.10675 159.5
[M]+ 247.13153 150.6
[M]- 247.13263 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.