CID 146680181

1,1'-bis[3-(trimethylammonio)propyl]ferrocene dichloride

Structural Information

Molecular Formula
C11H20N
SMILES
C[N+](C)(C)CCCC1=CC=CC1
InChI
InChI=1S/C11H20N/c1-12(2,3)10-6-9-11-7-4-5-8-11/h4-5,7H,6,8-10H2,1-3H3/q+1
InChIKey
SEKCRFPLONJYJE-UHFFFAOYSA-N
Compound name
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

166.15958 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.16686 137.7
[M+Na]+ 189.14880 144.2
[M-H]- 165.15230 142.7
[M+NH4]+ 184.19340 160.7
[M+K]+ 205.12274 137.7
[M+H-H2O]+ 149.15684 135.1
[M+HCOO]- 211.15778 162.8
[M+CH3COO]- 225.17343 179.1
[M+Na-2H]- 187.13425 146.5
[M]+ 166.15903 138.0
[M]- 166.16013 138.0
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.