CID 91604240

4-(1,4-dioxan-2-yl)piperidine

Structural Information

Molecular Formula
C9H17NO2
SMILES
C1CNCCC1C2COCCO2
InChI
InChI=1S/C9H17NO2/c1-3-10-4-2-8(1)9-7-11-5-6-12-9/h8-10H,1-7H2
InChIKey
MQQGENHQDYYHHM-UHFFFAOYSA-N
Compound name
4-(1,4-dioxan-2-yl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

171.12593 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 140.1
[M+Na]+ 194.11515 150.6
[M+NH4]+ 189.15975 148.7
[M+K]+ 210.08909 145.3
[M-H]- 170.11865 145.5
[M+Na-2H]- 192.10060 144.6
[M]+ 171.12538 142.9
[M]- 171.12648 142.9
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