CID 18002008

1-(3-methoxypropyl)piperidin-4-one

Structural Information

Molecular Formula
C9H17NO2
SMILES
COCCCN1CCC(=O)CC1
InChI
InChI=1S/C9H17NO2/c1-12-8-2-5-10-6-3-9(11)4-7-10/h2-8H2,1H3
InChIKey
QFWBXLYVHOMANN-UHFFFAOYSA-N
Compound name
1-(3-methoxypropyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

171.12593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 138.6
[M+Na]+ 194.115148 144.0
[M-H]- 170.118654 139.8
[M+NH4]+ 189.159753 157.6
[M+K]+ 210.089088 143.2
[M+H-H2O]+ 154.123190 132.0
[M+HCOO]- 216.124131 158.1
[M+CH3COO]- 230.139781 179.4
[M+Na-2H]- 192.100596 143.1
[M]+ 171.12538142 137.3
[M]- 171.12647858 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe