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]+ 170.128776 138.5
[M+Na]+ 192.110718 141.7
[M-H]- 168.114224 136.5
[M+NH4]+ 187.155323 154.8
[M+K]+ 208.084658 140.7
[M+H-H2O]+ 152.118760 129.3
[M+HCOO]- 214.119701 149.9
[M+CH3COO]- 228.135351 147.3
[M+Na-2H]- 190.096166 141.5
[M]+ 169.12095142 124.2
[M]- 169.12204858 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.