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]+ 199.18050 150.1
[M+Na]+ 221.16244 153.5
[M-H]- 197.16594 150.7
[M+NH4]+ 216.20704 167.4
[M+K]+ 237.13638 152.2
[M+H-H2O]+ 181.17048 143.2
[M+HCOO]- 243.17142 167.1
[M+CH3COO]- 257.18707 188.6
[M+Na-2H]- 219.14789 150.3
[M]+ 198.17267 144.9
[M]- 198.17377 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