CID 46942

As-8670

Structural Information

Molecular Formula
C11H28N2O
SMILES
CC(C[N+](C)(C)C)OCC[N+](C)(C)C
InChI
InChI=1S/C11H28N2O/c1-11(10-13(5,6)7)14-9-8-12(2,3)4/h11H,8-10H2,1-7H3/q+2
InChIKey
KMMKIOHAGBSFCY-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(trimethylazaniumyl)ethoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.22017 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.22745 143.6
[M+Na]+ 227.20939 148.6
[M-H]- 203.21289 147.0
[M+NH4]+ 222.25399 163.7
[M+K]+ 243.18333 139.5
[M+H-H2O]+ 187.21743 144.5
[M+HCOO]- 249.21837 165.9
[M+CH3COO]- 263.23402 188.6
[M+Na-2H]- 225.19484 155.1
[M]+ 204.21962 145.2
[M]- 204.22072 145.2
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.