CID 77072

Tetraheptylammonium iodide

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

21
References

5558
Patents

410.47256 Da
Monoisotopic Mass

11.8
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

literature stripe

Patent stripe

patents stripe