CID 4615046

62076-98-6

Structural Information

Molecular Formula

C₁₄H₂₂N

SMILES

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

InChI

InChI=1S/C14H22N/c1-4-12-15(5-2,6-3)13-14-10-8-7-9-11-14/h4,7-11H,1,5-6,12-13H2,2-3H3/q+1

InChIKey

MLOZIWKXHDXCDW-UHFFFAOYSA-N

Compound name

benzyl-diethyl-prop-2-enylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 204.17523 Da
Monoisotopic Mass: 3.2
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]+	205.18251	147.9
[M+Na]+	227.16445	153.5
[M-H]-	203.16795	152.5
[M+NH4]+	222.20905	167.5
[M+K]+	243.13839	145.4
[M+H-H2O]+	187.17249	144.6
[M+HCOO]-	249.17343	171.6
[M+CH3COO]-	263.18908	187.0
[M+Na-2H]-	225.14990	157.2
[M]+	204.17468	148.0
[M]-	204.17578	148.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe