CID 23295198

1-(4-hydroxypiperidin-1-yl)butan-1-one

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCCC(=O)N1CCC(CC1)O
InChI
InChI=1S/C9H17NO2/c1-2-3-9(12)10-6-4-8(11)5-7-10/h8,11H,2-7H2,1H3
InChIKey
LWFBGOMJEYADOI-UHFFFAOYSA-N
Compound name
1-(4-hydroxypiperidin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

171.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 139.8
[M+Na]+ 194.11515 149.3
[M+NH4]+ 189.15975 147.1
[M+K]+ 210.08909 144.3
[M-H]- 170.11865 139.8
[M+Na-2H]- 192.10060 143.1
[M]+ 171.12538 140.8
[M]- 171.12648 140.8
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