CID 25258

Dimethonium diiodide

Structural Information

Molecular Formula
C8H22N2
SMILES
C[N+](C)(C)CC[N+](C)(C)C
InChI
InChI=1S/C8H22N2/c1-9(2,3)7-8-10(4,5)6/h7-8H2,1-6H3/q+2
InChIKey
YIXVXFVKVAPMDM-UHFFFAOYSA-N
Compound name
trimethyl-[2-(trimethylazaniumyl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

302
Patents

146.1783 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.18558 126.1
[M+Na]+ 169.16752 132.6
[M-H]- 145.17102 130.0
[M+NH4]+ 164.21212 148.6
[M+K]+ 185.14146 123.5
[M+H-H2O]+ 129.17556 127.7
[M+HCOO]- 191.17650 150.2
[M+CH3COO]- 205.19215 177.2
[M+Na-2H]- 167.15297 140.2
[M]+ 146.17775 126.0
[M]- 146.17885 126.0
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