CID 6433433

(2-(2-(1-naphthyl)-4-hexenyloxyethyl)trimethyl)amminium iodide

Structural Information

Molecular Formula
C21H30NO
SMILES
C/C=C/CC(COCC[N+](C)(C)C)C1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C21H30NO/c1-5-6-10-19(17-23-16-15-22(2,3)4)21-14-9-12-18-11-7-8-13-20(18)21/h5-9,11-14,19H,10,15-17H2,1-4H3/q+1/b6-5+
InChIKey
ZELLHNAOJCGDLQ-AATRIKPKSA-N
Compound name
trimethyl-[2-[(E)-2-naphthalen-1-ylhex-4-enoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.23273 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.24001 179.9
[M+Na]+ 335.22195 184.2
[M-H]- 311.22545 184.6
[M+NH4]+ 330.26655 196.0
[M+K]+ 351.19589 174.6
[M+H-H2O]+ 295.22999 174.9
[M+HCOO]- 357.23093 200.0
[M+CH3COO]- 371.24658 208.4
[M+Na-2H]- 333.20740 186.6
[M]+ 312.23218 182.1
[M]- 312.23328 182.1
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.