CID 167731155

2-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one

Structural Information

Molecular Formula
C10H19N3O
SMILES
CCN1CC2(CCNCC2)CNC1=O
InChI
InChI=1S/C10H19N3O/c1-2-13-8-10(7-12-9(13)14)3-5-11-6-4-10/h11H,2-8H2,1H3,(H,12,14)
InChIKey
ZASJJIQHZWGMIY-UHFFFAOYSA-N
Compound name
4-ethyl-2,4,9-triazaspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.15282 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.16010 149.8
[M+Na]+ 220.14204 154.0
[M-H]- 196.14554 147.2
[M+NH4]+ 215.18664 165.5
[M+K]+ 236.11598 150.2
[M+H-H2O]+ 180.15008 141.6
[M+HCOO]- 242.15102 160.1
[M+CH3COO]- 256.16667 177.5
[M+Na-2H]- 218.12749 153.6
[M]+ 197.15227 138.9
[M]- 197.15337 138.9
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.