CID 13359910

4,4-dimethoxy-1-methylpiperidin-3-ol

Structural Information

Molecular Formula
C8H17NO3
SMILES
CN1CCC(C(C1)O)(OC)OC
InChI
InChI=1S/C8H17NO3/c1-9-5-4-8(11-2,12-3)7(10)6-9/h7,10H,4-6H2,1-3H3
InChIKey
MBFJHNYFZXUGJV-UHFFFAOYSA-N
Compound name
4,4-dimethoxy-1-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.12085 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12813 137.5
[M+Na]+ 198.11007 144.5
[M-H]- 174.11357 138.4
[M+NH4]+ 193.15467 158.1
[M+K]+ 214.08401 144.5
[M+H-H2O]+ 158.11811 132.4
[M+HCOO]- 220.11905 155.9
[M+CH3COO]- 234.13470 177.4
[M+Na-2H]- 196.09552 142.7
[M]+ 175.12030 136.9
[M]- 175.12140 136.9
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.