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

8
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 139.1
[M+Na]+ 194.115148 141.3
[M-H]- 170.118654 142.4
[M+NH4]+ 189.159753 153.8
[M+K]+ 210.089088 141.8
[M+H-H2O]+ 154.123190 131.6
[M+HCOO]- 216.124131 152.2
[M+CH3COO]- 230.139781 149.5
[M+Na-2H]- 192.100596 144.8
[M]+ 171.12538142 130.5
[M]- 171.12647858 130.5
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