CID 177801813

5,9-diazaspiro[3.6]decan-8-one

Structural Information

Molecular Formula
C8H14N2O
SMILES
C1CC2(C1)CNC(=O)CCN2
InChI
InChI=1S/C8H14N2O/c11-7-2-5-10-8(6-9-7)3-1-4-8/h10H,1-6H2,(H,9,11)
InChIKey
RUTYOICKLABCOQ-UHFFFAOYSA-N
Compound name
5,9-diazaspiro[3.6]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.11061 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 133.0
[M+Na]+ 177.09983 135.9
[M-H]- 153.10333 133.7
[M+NH4]+ 172.14443 144.5
[M+K]+ 193.07377 138.2
[M+H-H2O]+ 137.10787 122.4
[M+HCOO]- 199.10881 146.2
[M+CH3COO]- 213.12446 175.0
[M+Na-2H]- 175.08528 138.2
[M]+ 154.11006 130.1
[M]- 154.11116 130.1
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.