CID 19084670

(2-aminoethyl)triphenylphosphonium bromide

Structural Information

Molecular Formula
C20H21NP
SMILES
C1=CC=C(C=C1)[P+](CCN)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H21NP/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,21H2/q+1
InChIKey
HQPRUCFSEBOQEX-UHFFFAOYSA-N
Compound name
2-aminoethyl(triphenyl)phosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

306.14117 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14845 179.3
[M+Na]+ 329.13039 183.1
[M-H]- 305.13389 186.5
[M+NH4]+ 324.17499 192.6
[M+K]+ 345.10433 171.6
[M+H-H2O]+ 289.13843 170.4
[M+HCOO]- 351.13937 206.0
[M+CH3COO]- 365.15502 201.1
[M+Na-2H]- 327.11584 184.3
[M]+ 306.14062 175.2
[M]- 306.14172 175.2
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