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

42383
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

literature stripe

Patent stripe

patents stripe