CID 17912036

Dtxsid701015380

Structural Information

Molecular Formula
C16H38N2O2
SMILES
C[N+](C)(CCCCCC[N+](C)(C)CCCO)CCCO
InChI
InChI=1S/C16H38N2O2/c1-17(2,13-9-15-19)11-7-5-6-8-12-18(3,4)14-10-16-20/h19-20H,5-16H2,1-4H3/q+2
InChIKey
HUYPMIOJDCRDDD-UHFFFAOYSA-N
Compound name
3-hydroxypropyl-[6-[3-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

290.29333 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.30061 171.3
[M+Na]+ 313.28255 173.5
[M-H]- 289.28605 170.7
[M+NH4]+ 308.32715 211.1
[M+K]+ 329.25649 161.1
[M+H-H2O]+ 273.29059 171.2
[M+HCOO]- 335.29153 190.2
[M+CH3COO]- 349.30718 199.1
[M+Na-2H]- 311.26800 180.6
[M]+ 290.29278 173.0
[M]- 290.29388 173.0
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

patents stripe