CID 22386654

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

Structural Information

Molecular Formula
C8H15N3O
SMILES
C1CNCCC12CNC(=O)NC2
InChI
InChI=1S/C8H15N3O/c12-7-10-5-8(6-11-7)1-3-9-4-2-8/h9H,1-6H2,(H2,10,11,12)
InChIKey
WASNZWYTDZEYJN-UHFFFAOYSA-N
Compound name
2,4,9-triazaspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

169.1215 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.12878 142.0
[M+Na]+ 192.11072 145.7
[M-H]- 168.11422 138.0
[M+NH4]+ 187.15532 157.7
[M+K]+ 208.08466 141.4
[M+H-H2O]+ 152.11876 134.2
[M+HCOO]- 214.11970 151.5
[M+CH3COO]- 228.13535 150.4
[M+Na-2H]- 190.09617 147.0
[M]+ 169.12095 128.2
[M]- 169.12205 128.2
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

patents stripe