CID 3049314

64647-12-7

Structural Information

Molecular Formula
C11H22NO
SMILES
C[N+]1(CCCCC1)C2CCCOC2
InChI
InChI=1S/C11H22NO/c1-12(7-3-2-4-8-12)11-6-5-9-13-10-11/h11H,2-10H2,1H3/q+1
InChIKey
ZRQPPWTWYBUVRM-UHFFFAOYSA-N
Compound name
1-methyl-1-(oxan-3-yl)piperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.17014 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.17742 143.1
[M+Na]+ 207.15936 145.5
[M-H]- 183.16286 147.5
[M+NH4]+ 202.20396 161.4
[M+K]+ 223.13330 139.9
[M+H-H2O]+ 167.16740 138.5
[M+HCOO]- 229.16834 157.4
[M+CH3COO]- 243.18399 173.0
[M+Na-2H]- 205.14481 150.6
[M]+ 184.16959 133.6
[M]- 184.17069 133.6
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.