CID 131440872

1-{1,8-diazaspiro[4.5]decan-1-yl}-2-methylpropan-1-one hydrochloride

Structural Information

Molecular Formula
C12H22N2O
SMILES
CC(C)C(=O)N1CCCC12CCNCC2
InChI
InChI=1S/C12H22N2O/c1-10(2)11(15)14-9-3-4-12(14)5-7-13-8-6-12/h10,13H,3-9H2,1-2H3
InChIKey
HHBMSXPUMCGMML-UHFFFAOYSA-N
Compound name
1-(1,8-diazaspiro[4.5]decan-1-yl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 153.7
[M+Na]+ 233.16244 156.9
[M-H]- 209.16594 153.9
[M+NH4]+ 228.20704 172.6
[M+K]+ 249.13638 154.7
[M+H-H2O]+ 193.17048 146.4
[M+HCOO]- 255.17142 166.5
[M+CH3COO]- 269.18707 182.6
[M+Na-2H]- 231.14789 153.7
[M]+ 210.17267 145.2
[M]- 210.17377 145.2
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.