CID 55269996

1-{1,9-diazaspiro[5.5]undecan-1-yl}ethan-1-one dihydrochloride

Structural Information

Molecular Formula
C11H20N2O
SMILES
CC(=O)N1CCCCC12CCNCC2
InChI
InChI=1S/C11H20N2O/c1-10(14)13-9-3-2-4-11(13)5-7-12-8-6-11/h12H,2-9H2,1H3
InChIKey
VBNKSGSZCQBBQM-UHFFFAOYSA-N
Compound name
1-(1,9-diazaspiro[5.5]undecan-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.15756 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.16484 148.9
[M+Na]+ 219.14678 151.9
[M-H]- 195.15028 148.8
[M+NH4]+ 214.19138 166.5
[M+K]+ 235.12072 149.4
[M+H-H2O]+ 179.15482 141.2
[M+HCOO]- 241.15576 160.8
[M+CH3COO]- 255.17141 179.2
[M+Na-2H]- 217.13223 152.3
[M]+ 196.15701 138.5
[M]- 196.15811 138.5
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.