CID 34074

(3-(o-methoxyphenyl)propyl)trimethylammonium iodide

Structural Information

Molecular Formula
C13H22NO
SMILES
C[N+](C)(C)CCCC1=CC=CC=C1OC
InChI
InChI=1S/C13H22NO/c1-14(2,3)11-7-9-12-8-5-6-10-13(12)15-4/h5-6,8,10H,7,9,11H2,1-4H3/q+1
InChIKey
MOJQXXNMWRXJBC-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenyl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.17014 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.17742 147.6
[M+Na]+ 231.15936 154.1
[M-H]- 207.16286 152.7
[M+NH4]+ 226.20396 167.3
[M+K]+ 247.13330 147.4
[M+H-H2O]+ 191.16740 144.3
[M+HCOO]- 253.16834 171.6
[M+CH3COO]- 267.18399 187.9
[M+Na-2H]- 229.14481 156.8
[M]+ 208.16959 149.8
[M]- 208.17069 149.8
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.