CID 3063349

Brn 0117657

Structural Information

Molecular Formula
C13H26N2O
SMILES
CN1CCCCC1COCCN2CCCC2
InChI
InChI=1S/C13H26N2O/c1-14-7-3-2-6-13(14)12-16-11-10-15-8-4-5-9-15/h13H,2-12H2,1H3
InChIKey
MVYUTAFREVUTMK-UHFFFAOYSA-N
Compound name
1-methyl-2-(2-pyrrolidin-1-ylethoxymethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.20451 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.211786 157.7
[M+Na]+ 249.193728 160.3
[M-H]- 225.197234 159.6
[M+NH4]+ 244.238333 174.4
[M+K]+ 265.167668 158.3
[M+H-H2O]+ 209.201770 148.7
[M+HCOO]- 271.202711 173.5
[M+CH3COO]- 285.218361 189.3
[M+Na-2H]- 247.179176 157.7
[M]+ 226.20396142 152.8
[M]- 226.20505858 152.8
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.