CID 83873900

2248261-56-3

Structural Information

Molecular Formula
C8H15N3O
SMILES
C1CC2(CCNC1)CNC(=O)N2
InChI
InChI=1S/C8H15N3O/c12-7-10-6-8(11-7)2-1-4-9-5-3-8/h9H,1-6H2,(H2,10,11,12)
InChIKey
MOXLKQWCMADWLX-UHFFFAOYSA-N
Compound name
1,3,9-triazaspiro[4.6]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.1215 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 138.5
[M+Na]+ 192.11072 141.7
[M-H]- 168.11422 136.5
[M+NH4]+ 187.15532 154.8
[M+K]+ 208.08466 140.7
[M+H-H2O]+ 152.11876 129.3
[M+HCOO]- 214.11970 149.9
[M+CH3COO]- 228.13535 147.3
[M+Na-2H]- 190.09617 141.5
[M]+ 169.12095 124.2
[M]- 169.12205 124.2
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.