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]+ 211.180496 153.7
[M+Na]+ 233.162438 156.9
[M-H]- 209.165944 153.9
[M+NH4]+ 228.207043 172.6
[M+K]+ 249.136378 154.7
[M+H-H2O]+ 193.170480 146.4
[M+HCOO]- 255.171421 166.5
[M+CH3COO]- 269.187071 182.6
[M+Na-2H]- 231.147886 153.7
[M]+ 210.17267142 145.2
[M]- 210.17376858 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.