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]+ 227.21179 157.7
[M+Na]+ 249.19373 160.3
[M-H]- 225.19723 159.6
[M+NH4]+ 244.23833 174.4
[M+K]+ 265.16767 158.3
[M+H-H2O]+ 209.20177 148.7
[M+HCOO]- 271.20271 173.5
[M+CH3COO]- 285.21836 189.3
[M+Na-2H]- 247.17918 157.7
[M]+ 226.20396 152.8
[M]- 226.20506 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.