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

6
Patents

186.13683 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14411 143.5
[M+Na]+ 209.12605 148.0
[M-H]- 185.12955 144.3
[M+NH4]+ 204.17065 161.3
[M+K]+ 225.09999 147.1
[M+H-H2O]+ 169.13409 136.6
[M+HCOO]- 231.13503 162.5
[M+CH3COO]- 245.15068 183.8
[M+Na-2H]- 207.11150 146.1
[M]+ 186.13628 139.7
[M]- 186.13738 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