CID 9383

Azamethonium

Structural Information

Molecular Formula
C13H33N3
SMILES
CC[N+](C)(C)CCN(C)CC[N+](C)(C)CC
InChI
InChI=1S/C13H33N3/c1-8-15(4,5)12-10-14(3)11-13-16(6,7)9-2/h8-13H2,1-7H3/q+2
InChIKey
NHWGPUVJQFTOQX-UHFFFAOYSA-N
Compound name
ethyl-[2-[2-[ethyl(dimethyl)azaniumyl]ethyl-methylamino]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

74
References

8917
Patents

231.26744 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.27472 152.1
[M+Na]+ 254.25666 155.8
[M-H]- 230.26016 156.3
[M+NH4]+ 249.30126 171.5
[M+K]+ 270.23060 146.7
[M+H-H2O]+ 214.26470 151.9
[M+HCOO]- 276.26564 175.9
[M+CH3COO]- 290.28129 200.2
[M+Na-2H]- 252.24211 163.2
[M]+ 231.26689 154.2
[M]- 231.26799 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe