CID 135121843

Dtxsid401335747

Structural Information

Molecular Formula
C16H38N2O2
SMILES
CC(C[N+](C)(C)CCCCCC[N+](C)(C)CC(C)O)O
InChI
InChI=1S/C16H38N2O2/c1-15(19)13-17(3,4)11-9-7-8-10-12-18(5,6)14-16(2)20/h15-16,19-20H,7-14H2,1-6H3/q+2
InChIKey
ARQJSQIQKYPHOI-UHFFFAOYSA-N
Compound name
2-hydroxypropyl-[6-[2-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.29333 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.30061 170.0
[M+Na]+ 313.28255 171.8
[M-H]- 289.28605 169.6
[M+NH4]+ 308.32715 210.6
[M+K]+ 329.25649 160.5
[M+H-H2O]+ 273.29059 170.3
[M+HCOO]- 335.29153 226.4
[M+CH3COO]- 349.30718 200.1
[M+Na-2H]- 311.26800 177.1
[M]+ 290.29278 170.4
[M]- 290.29388 170.4
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.