CID 3048056

Bw 55-95

Structural Information

Molecular Formula
C14H30N2O
SMILES
C[N+]1(CCC(CC1)CC[N+]2(CCOCC2)C)C
InChI
InChI=1S/C14H30N2O/c1-15(2)7-4-14(5-8-15)6-9-16(3)10-12-17-13-11-16/h14H,4-13H2,1-3H3/q+2
InChIKey
IKXVRBRQGMDSMO-UHFFFAOYSA-N
Compound name
4-[2-(1,1-dimethylpiperidin-1-ium-4-yl)ethyl]-4-methylmorpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.23581 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.24309 157.4
[M+Na]+ 265.22503 160.2
[M-H]- 241.22853 160.6
[M+NH4]+ 260.26963 174.0
[M+K]+ 281.19897 148.7
[M+H-H2O]+ 225.23307 154.7
[M+HCOO]- 287.23401 168.8
[M+CH3COO]- 301.24966 180.1
[M+Na-2H]- 263.21048 166.0
[M]+ 242.23526 148.7
[M]- 242.23636 148.7
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.