CID 131562288

2,5,7-triazaspiro[3.5]nonan-6-one hydrochloride

Structural Information

Molecular Formula
C6H11N3O
SMILES
C1CNC(=O)NC12CNC2
InChI
InChI=1S/C6H11N3O/c10-5-8-2-1-6(9-5)3-7-4-6/h7H,1-4H2,(H2,8,9,10)
InChIKey
WRNALNJFNAAVKM-UHFFFAOYSA-N
Compound name
2,5,7-triazaspiro[3.5]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 132.2
[M+Na]+ 164.07943 137.0
[M-H]- 140.08293 129.1
[M+NH4]+ 159.12403 143.2
[M+K]+ 180.05337 136.4
[M+H-H2O]+ 124.08747 120.6
[M+HCOO]- 186.08841 143.8
[M+CH3COO]- 200.10406 167.2
[M+Na-2H]- 162.06488 138.4
[M]+ 141.08966 130.6
[M]- 141.09076 130.6
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.