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

1
Patents

204.22017 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.227446 143.6
[M+Na]+ 227.209388 148.6
[M-H]- 203.212894 147.0
[M+NH4]+ 222.253993 163.7
[M+K]+ 243.183328 139.5
[M+H-H2O]+ 187.217430 144.5
[M+HCOO]- 249.218371 165.9
[M+CH3COO]- 263.234021 188.6
[M+Na-2H]- 225.194836 155.1
[M]+ 204.21962142 145.2
[M]- 204.22071858 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.