CID 111462

68938-74-9

Structural Information

Molecular Formula
C19H44N2O3
SMILES
CCCC(CC)COCC(C[N+](C)(C)C)OCC(C[N+](C)(C)C)O
InChI
InChI=1S/C19H44N2O3/c1-9-11-17(10-2)14-23-16-19(13-21(6,7)8)24-15-18(22)12-20(3,4)5/h17-19,22H,9-16H2,1-8H3/q+2
InChIKey
DNNCXLFEOOVSAK-UHFFFAOYSA-N
Compound name
[3-(2-ethylpentoxy)-2-[2-hydroxy-3-(trimethylazaniumyl)propoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.3352 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.34248 220.8
[M+Na]+ 371.32442 228.9
[M-H]- 347.32792 220.6
[M+NH4]+ 366.36902 225.0
[M+K]+ 387.29836 222.2
[M+H-H2O]+ 331.33246 186.2
[M+HCOO]- 393.33340 234.6
[M+CH3COO]- 407.34905 214.1
[M+Na-2H]- 369.30987 192.0
[M]+ 348.33465 220.2
[M]- 348.33575 220.2
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.