CID 62590206

1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one

Structural Information

Molecular Formula
C9H18N2O2
SMILES
COCCC(=O)N1CCC(CC1)N
InChI
InChI=1S/C9H18N2O2/c1-13-7-4-9(12)11-5-2-8(10)3-6-11/h8H,2-7,10H2,1H3
InChIKey
UQLJENSAJMUUJW-UHFFFAOYSA-N
Compound name
1-(4-aminopiperidin-1-yl)-3-methoxypropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.13683 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.144106 143.5
[M+Na]+ 209.126048 148.0
[M-H]- 185.129554 144.3
[M+NH4]+ 204.170653 161.3
[M+K]+ 225.099988 147.1
[M+H-H2O]+ 169.134090 136.6
[M+HCOO]- 231.135031 162.5
[M+CH3COO]- 245.150681 183.8
[M+Na-2H]- 207.111496 146.1
[M]+ 186.13628142 139.7
[M]- 186.13737858 139.7
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