CID 60307

109258-19-7

Structural Information

Molecular Formula
C14H28N4O2
SMILES
C[N+](C)(C)CCOC1=NN=C(C=C1)OCC[N+](C)(C)C
InChI
InChI=1S/C14H28N4O2/c1-17(2,3)9-11-19-13-7-8-14(16-15-13)20-12-10-18(4,5)6/h7-8H,9-12H2,1-6H3/q+2
InChIKey
WKJWZJDHIRXHOV-UHFFFAOYSA-N
Compound name
trimethyl-[2-[6-[2-(trimethylazaniumyl)ethoxy]pyridazin-3-yl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.22122 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.228496 164.1
[M+Na]+ 307.210438 169.7
[M-H]- 283.213944 167.9
[M+NH4]+ 302.255043 178.1
[M+K]+ 323.184378 158.6
[M+H-H2O]+ 267.218480 161.3
[M+HCOO]- 329.219421 185.4
[M+CH3COO]- 343.235071 200.1
[M+Na-2H]- 305.195886 178.0
[M]+ 284.22067142 167.5
[M]- 284.22176858 167.5
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.