CID 24217904

1,4-diazaspiro[5.5]undecan-5-one

Structural Information

Molecular Formula
C9H16N2O
SMILES
C1CCC2(CC1)C(=O)NCCN2
InChI
InChI=1S/C9H16N2O/c12-8-9(11-7-6-10-8)4-2-1-3-5-9/h11H,1-7H2,(H,10,12)
InChIKey
NPGCDXDRKGAHMU-UHFFFAOYSA-N
Compound name
1,4-diazaspiro[5.5]undecan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.12627 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.13355 141.3
[M+Na]+ 191.11549 150.8
[M+NH4]+ 186.16009 150.6
[M+K]+ 207.08943 143.0
[M-H]- 167.11899 142.3
[M+Na-2H]- 189.10094 146.7
[M]+ 168.12572 142.7
[M]- 168.12682 142.7
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