CID 20117980

1-(4-aminopiperidin-1-yl)-2-ethylbutan-1-one

Structural Information

Molecular Formula
C11H22N2O
SMILES
CCC(CC)C(=O)N1CCC(CC1)N
InChI
InChI=1S/C11H22N2O/c1-3-9(4-2)11(14)13-7-5-10(12)6-8-13/h9-10H,3-8,12H2,1-2H3
InChIKey
WCWNHWJGSIEEBV-UHFFFAOYSA-N
Compound name
1-(4-aminopiperidin-1-yl)-2-ethylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

198.17322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.180496 150.1
[M+Na]+ 221.162438 153.5
[M-H]- 197.165944 150.7
[M+NH4]+ 216.207043 167.4
[M+K]+ 237.136378 152.2
[M+H-H2O]+ 181.170480 143.2
[M+HCOO]- 243.171421 167.1
[M+CH3COO]- 257.187071 188.6
[M+Na-2H]- 219.147886 150.3
[M]+ 198.17267142 144.9
[M]- 198.17376858 144.9
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