CID 106634

68123-04-6

Structural Information

Molecular Formula
C19H44N2O
SMILES
CCCCCCCCOCCC[N+](C)(C)CCC[N+](C)(C)C
InChI
InChI=1S/C19H44N2O/c1-7-8-9-10-11-12-18-22-19-14-17-21(5,6)16-13-15-20(2,3)4/h7-19H2,1-6H3/q+2
InChIKey
SVWNJKJELFHJHW-UHFFFAOYSA-N
Compound name
dimethyl-(3-octoxypropyl)-[3-(trimethylazaniumyl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.34537 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.35265 182.4
[M+Na]+ 339.33459 184.4
[M-H]- 315.33809 184.2
[M+NH4]+ 334.37919 227.6
[M+K]+ 355.30853 172.7
[M+H-H2O]+ 299.34263 181.5
[M+HCOO]- 361.34357 249.4
[M+CH3COO]- 375.35922 212.0
[M+Na-2H]- 337.32004 190.8
[M]+ 316.34482 187.7
[M]- 316.34592 187.8
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.