CID 5964

Benzyltrimethylammonium

Structural Information

Molecular Formula

C₁₀H₁₆N

SMILES

C[N+](C)(C)CC1=CC=CC=C1

InChI

InChI=1S/C10H16N/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/q+1

InChIKey

YOUGRGFIHBUKRS-UHFFFAOYSA-N

Compound name

benzyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 67
References: 99777
Patents: 150.12828 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	151.13556	130.0
[M+Na]+	173.11750	137.0
[M-H]-	149.12100	135.4
[M+NH4]+	168.16210	151.9
[M+K]+	189.09144	130.6
[M+H-H2O]+	133.12554	127.5
[M+HCOO]-	195.12648	154.9
[M+CH3COO]-	209.14213	175.9
[M+Na-2H]-	171.10295	141.5
[M]+	150.12773	129.4
[M]-	150.12883	129.4

Literature stripe

literature stripe

Patent stripe

patents stripe