CID 83679914

1,3,7-triazaspiro[4.5]decan-2-one

Structural Information

Molecular Formula
C7H13N3O
SMILES
C1CC2(CNC1)CNC(=O)N2
InChI
InChI=1S/C7H13N3O/c11-6-9-5-7(10-6)2-1-3-8-4-7/h8H,1-5H2,(H2,9,10,11)
InChIKey
OWDXVKSJDZVIRF-UHFFFAOYSA-N
Compound name
1,3,9-triazaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

155.10587 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 136.9
[M+Na]+ 178.09509 142.0
[M-H]- 154.09859 133.5
[M+NH4]+ 173.13969 155.2
[M+K]+ 194.06903 138.0
[M+H-H2O]+ 138.10313 129.6
[M+HCOO]- 200.10407 149.0
[M+CH3COO]- 214.11972 146.6
[M+Na-2H]- 176.08054 140.8
[M]+ 155.10532 124.9
[M]- 155.10642 124.9
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

patents stripe