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 140.6
[M+Na]+ 191.11549 144.3
[M-H]- 167.11899 139.4
[M+NH4]+ 186.16009 158.6
[M+K]+ 207.08943 140.8
[M+H-H2O]+ 151.12353 133.4
[M+HCOO]- 213.12447 152.7
[M+CH3COO]- 227.14012 150.1
[M+Na-2H]- 189.10094 145.7
[M]+ 168.12572 128.4
[M]- 168.12682 128.4
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