CID 407640

O-(2-benzylphenyl)-choline iodide

Structural Information

Molecular Formula
C18H24NO
SMILES
C[N+](C)(C)CCOC1=CC=CC=C1CC2=CC=CC=C2
InChI
InChI=1S/C18H24NO/c1-19(2,3)13-14-20-18-12-8-7-11-17(18)15-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3/q+1
InChIKey
FAJJPKPHEBAPSU-UHFFFAOYSA-N
Compound name
2-(2-benzylphenoxy)ethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1858 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19308 165.6
[M+Na]+ 293.17502 171.2
[M-H]- 269.17852 173.4
[M+NH4]+ 288.21962 182.2
[M+K]+ 309.14896 162.4
[M+H-H2O]+ 253.18306 160.3
[M+HCOO]- 315.18400 189.2
[M+CH3COO]- 329.19965 198.6
[M+Na-2H]- 291.16047 174.4
[M]+ 270.18525 166.9
[M]- 270.18635 166.9
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.