CID 46900

Ammonium, oxybis(trimethylene)bis(trimethyl-, diiodide

Structural Information

Molecular Formula
C12H30N2O
SMILES
C[N+](C)(C)CCCOCCC[N+](C)(C)C
InChI
InChI=1S/C12H30N2O/c1-13(2,3)9-7-11-15-12-8-10-14(4,5)6/h7-12H2,1-6H3/q+2
InChIKey
DDFXUKCWHVUUQD-UHFFFAOYSA-N
Compound name
trimethyl-[3-[3-(trimethylazaniumyl)propoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

218.23581 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.243086 149.3
[M+Na]+ 241.225028 154.1
[M-H]- 217.228534 152.4
[M+NH4]+ 236.269633 168.9
[M+K]+ 257.198968 144.3
[M+H-H2O]+ 201.233070 149.8
[M+HCOO]- 263.234011 172.2
[M+CH3COO]- 277.249661 191.1
[M+Na-2H]- 239.210476 161.4
[M]+ 218.23526142 152.0
[M]- 218.23635858 152.0
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