CID 21219

5137-55-3

Structural Information

Molecular Formula
C25H54N
SMILES
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC
InChI
InChI=1S/C25H54N/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3/h5-25H2,1-4H3/q+1
InChIKey
ZUZLIXGTXQBUDC-UHFFFAOYSA-N
Compound name
methyl(trioctyl)azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

109
References

40326
Patents

368.42563 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.43291 207.3
[M+Na]+ 391.41485 206.8
[M-H]- 367.41835 205.9
[M+NH4]+ 386.45945 227.8
[M+K]+ 407.38879 197.2
[M+H-H2O]+ 351.42289 202.4
[M+HCOO]- 413.42383 225.3
[M+CH3COO]- 427.43948 226.2
[M+Na-2H]- 389.40030 208.0
[M]+ 368.42508 214.8
[M]- 368.42618 214.8
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.