CID 13566749

3-(1,3-dioxolan-2-yl)-1-methylpiperidine

Structural Information

Molecular Formula
C9H17NO2
SMILES
CN1CCCC(C1)C2OCCO2
InChI
InChI=1S/C9H17NO2/c1-10-4-2-3-8(7-10)9-11-5-6-12-9/h8-9H,2-7H2,1H3
InChIKey
PDZDWPHCSFLQAB-UHFFFAOYSA-N
Compound name
3-(1,3-dioxolan-2-yl)-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 138.2
[M+Na]+ 194.11515 142.7
[M-H]- 170.11865 143.5
[M+NH4]+ 189.15975 155.9
[M+K]+ 210.08909 144.1
[M+H-H2O]+ 154.12319 131.5
[M+HCOO]- 216.12413 154.9
[M+CH3COO]- 230.13978 176.7
[M+Na-2H]- 192.10060 142.1
[M]+ 171.12538 134.0
[M]- 171.12648 134.0
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

No patent data available for this compound.