CID 17208

Benzyltriethylammonium nitrate

Structural Information

Molecular Formula

C₁₃H₂₂N

SMILES

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

InChI

InChI=1S/C13H22N/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13/h7-11H,4-6,12H2,1-3H3/q+1

InChIKey

VBQDSLGFSUGBBE-UHFFFAOYSA-N

Compound name

benzyl(triethyl)azanium

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 76
References: 73472
Patents: 192.17523 Da
Monoisotopic Mass: 2.9
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]+	193.18251	144.5
[M+Na]+	215.16445	150.2
[M-H]-	191.16795	149.3
[M+NH4]+	210.20905	164.7
[M+K]+	231.13839	143.0
[M+H-H2O]+	175.17249	141.3
[M+HCOO]-	237.17343	168.3
[M+CH3COO]-	251.18908	185.0
[M+Na-2H]-	213.14990	154.3
[M]+	192.17468	145.0
[M]-	192.17578	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe