CID 156022525

3-(2,2-dimethoxyethyl)piperidine

Structural Information

Molecular Formula
C9H19NO2
SMILES
COC(CC1CCCNC1)OC
InChI
InChI=1S/C9H19NO2/c1-11-9(12-2)6-8-4-3-5-10-7-8/h8-10H,3-7H2,1-2H3
InChIKey
QLCWETXPKXSRFR-UHFFFAOYSA-N
Compound name
3-(2,2-dimethoxyethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 141.4
[M+Na]+ 196.130808 144.9
[M-H]- 172.134314 140.9
[M+NH4]+ 191.175413 159.3
[M+K]+ 212.104748 144.3
[M+H-H2O]+ 156.138850 134.8
[M+HCOO]- 218.139791 158.2
[M+CH3COO]- 232.155441 177.3
[M+Na-2H]- 194.116256 144.8
[M]+ 173.14104142 137.9
[M]- 173.14213858 137.9
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.