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

45
Patents

169.1215 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.128776 142.0
[M+Na]+ 192.110718 145.7
[M-H]- 168.114224 138.0
[M+NH4]+ 187.155323 157.7
[M+K]+ 208.084658 141.4
[M+H-H2O]+ 152.118760 134.2
[M+HCOO]- 214.119701 151.5
[M+CH3COO]- 228.135351 150.4
[M+Na-2H]- 190.096166 147.0
[M]+ 169.12095142 128.2
[M]- 169.12204858 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