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]+ 198.160096 149.8
[M+Na]+ 220.142038 154.0
[M-H]- 196.145544 147.2
[M+NH4]+ 215.186643 165.5
[M+K]+ 236.115978 150.2
[M+H-H2O]+ 180.150080 141.6
[M+HCOO]- 242.151021 160.1
[M+CH3COO]- 256.166671 177.5
[M+Na-2H]- 218.127486 153.6
[M]+ 197.15227142 138.9
[M]- 197.15336858 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.