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]+ 142.097486 132.2
[M+Na]+ 164.079428 137.0
[M-H]- 140.082934 129.1
[M+NH4]+ 159.124033 143.2
[M+K]+ 180.053368 136.4
[M+H-H2O]+ 124.087470 120.6
[M+HCOO]- 186.088411 143.8
[M+CH3COO]- 200.104061 167.2
[M+Na-2H]- 162.064876 138.4
[M]+ 141.08966142 130.6
[M]- 141.09075858 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.