CID 20139741

Ditridecyldimonium chloride

Structural Information

Molecular Formula
C28H60N
SMILES
CCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCC
InChI
InChI=1S/C28H60N/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3/q+1
InChIKey
CPFHRWICXGTYAH-UHFFFAOYSA-N
Compound name
dimethyl-di(tridecyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

117
Patents

410.47256 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.47984 220.7
[M+Na]+ 433.46178 218.9
[M-H]- 409.46528 218.6
[M+NH4]+ 428.50638 238.8
[M+K]+ 449.43572 208.5
[M+H-H2O]+ 393.46982 215.1
[M+HCOO]- 455.47076 256.7
[M+CH3COO]- 469.48641 235.0
[M+Na-2H]- 431.44723 219.8
[M]+ 410.47201 229.3
[M]- 410.47311 229.3
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