CID 87907

19037-74-2

Structural Information

Molecular Formula
C32H70N2O
SMILES
CCCCCCCCCCCC[N+](C)(C)CCOCC[N+](C)(C)CCCCCCCCCCCC
InChI
InChI=1S/C32H70N2O/c1-7-9-11-13-15-17-19-21-23-25-27-33(3,4)29-31-35-32-30-34(5,6)28-26-24-22-20-18-16-14-12-10-8-2/h7-32H2,1-6H3/q+2
InChIKey
VZHXCVLNSVKTLY-UHFFFAOYSA-N
Compound name
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxy]ethyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.54883 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.55611 275.2
[M+Na]+ 521.53805 281.1
[M-H]- 497.54155 264.7
[M+NH4]+ 516.58265 274.7
[M+K]+ 537.51199 278.1
[M+H-H2O]+ 481.54609 261.5
[M+HCOO]- 543.54703 292.2
[M+CH3COO]- 557.56268 249.8
[M+Na-2H]- 519.52350 258.2
[M]+ 498.54828 273.9
[M]- 498.54938 273.9
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.