CID 21348362

Arquad pc htl8-ms

Structural Information

Molecular Formula
C28H60N
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CC)CCCC
InChI
InChI=1S/C28H60N/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(4,5)27-28(8-3)25-10-7-2/h28H,6-27H2,1-5H3/q+1
InChIKey
IFHQAQOJTLWUSJ-UHFFFAOYSA-N
Compound name
2-ethylhexyl-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

105
Patents

410.47256 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.47984 221.2
[M+Na]+ 433.46178 219.3
[M-H]- 409.46528 226.8
[M+NH4]+ 428.50638 239.0
[M+K]+ 449.43572 209.3
[M+H-H2O]+ 393.46982 215.9
[M+HCOO]- 455.47076 253.1
[M+CH3COO]- 469.48641 235.5
[M+Na-2H]- 431.44723 219.1
[M]+ 410.47201 229.2
[M]- 410.47311 229.2
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

patents stripe