CID 101570

Dibenzyldimethylammonium chloride

Structural Information

Molecular Formula
C16H20N
SMILES
C[N+](C)(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H20N/c1-17(2,13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3/q+1
InChIKey
LNIYNESXCOYFPW-UHFFFAOYSA-N
Compound name
dibenzyl(dimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

1958
Patents

226.15958 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.16686 152.5
[M+Na]+ 249.14880 158.1
[M-H]- 225.15230 160.3
[M+NH4]+ 244.19340 170.7
[M+K]+ 265.12274 149.3
[M+H-H2O]+ 209.15684 147.8
[M+HCOO]- 271.15778 176.7
[M+CH3COO]- 285.17343 189.6
[M+Na-2H]- 247.13425 163.1
[M]+ 226.15903 151.4
[M]- 226.16013 151.4
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