CID 16471

Phenpropyl-trimethylammonium iodide

Structural Information

Molecular Formula
C12H20N
SMILES
C[N+](C)(C)CCCC1=CC=CC=C1
InChI
InChI=1S/C12H20N/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3/q+1
InChIKey
RMMVFXHBJMOAJI-UHFFFAOYSA-N
Compound name
trimethyl(3-phenylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
Patents

178.15958 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.16686 139.7
[M+Na]+ 201.14880 145.8
[M-H]- 177.15230 144.7
[M+NH4]+ 196.19340 160.4
[M+K]+ 217.12274 138.9
[M+H-H2O]+ 161.15684 136.7
[M+HCOO]- 223.15778 163.9
[M+CH3COO]- 237.17343 182.0
[M+Na-2H]- 199.13425 150.1
[M]+ 178.15903 139.8
[M]- 178.16013 139.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe