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]+ 169.133546 140.6
[M+Na]+ 191.115488 144.3
[M-H]- 167.118994 139.4
[M+NH4]+ 186.160093 158.6
[M+K]+ 207.089428 140.8
[M+H-H2O]+ 151.123530 133.4
[M+HCOO]- 213.124471 152.7
[M+CH3COO]- 227.140121 150.1
[M+Na-2H]- 189.100936 145.7
[M]+ 168.12572142 128.4
[M]- 168.12681858 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