CID 46892

Ammonium, oxybis(1,2-propylene)bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C12H30N2O
SMILES
CC(C[N+](C)(C)C)OC(C)C[N+](C)(C)C
InChI
InChI=1S/C12H30N2O/c1-11(9-13(3,4)5)15-12(2)10-14(6,7)8/h11-12H,9-10H2,1-8H3/q+2
InChIKey
SFMONZGRKVMYID-UHFFFAOYSA-N
Compound name
trimethyl-[2-[1-(trimethylazaniumyl)propan-2-yloxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

218.23581 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.24309 147.3
[M+Na]+ 241.22503 151.7
[M-H]- 217.22853 150.6
[M+NH4]+ 236.26963 166.8
[M+K]+ 257.19897 142.8
[M+H-H2O]+ 201.23307 148.1
[M+HCOO]- 263.23401 168.4
[M+CH3COO]- 277.24966 192.2
[M+Na-2H]- 239.21048 157.2
[M]+ 218.23526 148.6
[M]- 218.23636 148.6
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

patents stripe