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]+ 176.128126 137.5
[M+Na]+ 198.110068 144.5
[M-H]- 174.113574 138.4
[M+NH4]+ 193.154673 158.1
[M+K]+ 214.084008 144.5
[M+H-H2O]+ 158.118110 132.4
[M+HCOO]- 220.119051 155.9
[M+CH3COO]- 234.134701 177.4
[M+Na-2H]- 196.095516 142.7
[M]+ 175.12030142 136.9
[M]- 175.12139858 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.