CID 60366

109697-44-1

Structural Information

Molecular Formula
C16H32N4O2
SMILES
C[N+](C)(C)CCCOC1=NN=C(C=C1)OCCC[N+](C)(C)C
InChI
InChI=1S/C16H32N4O2/c1-19(2,3)11-7-13-21-15-9-10-16(18-17-15)22-14-8-12-20(4,5)6/h9-10H,7-8,11-14H2,1-6H3/q+2
InChIKey
DUHGOAJSPOHVSD-UHFFFAOYSA-N
Compound name
trimethyl-[3-[6-[3-(trimethylazaniumyl)propoxy]pyridazin-3-yl]oxypropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.25253 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.25981 173.4
[M+Na]+ 335.24175 178.2
[M-H]- 311.24525 176.9
[M+NH4]+ 330.28635 186.4
[M+K]+ 351.21569 166.6
[M+H-H2O]+ 295.24979 170.2
[M+HCOO]- 357.25073 194.1
[M+CH3COO]- 371.26638 206.0
[M+Na-2H]- 333.22720 186.4
[M]+ 312.25198 177.6
[M]- 312.25308 177.6
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

No patent data available for this compound.