CID 77853

4186-67-8

Structural Information

Molecular Formula

C₉H₂₂N

SMILES

CCC[N+](CC)(CC)CC

InChI

InChI=1S/C9H22N/c1-5-9-10(6-2,7-3)8-4/h5-9H2,1-4H3/q+1

InChIKey

WGYXSYLSCVXFDU-UHFFFAOYSA-N

Compound name

triethyl(propyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1767
Patents: 144.17523 Da
Monoisotopic Mass: 2.3
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]+	145.18251	132.9
[M+Na]+	167.16445	139.0
[M-H]-	143.16795	134.7
[M+NH4]+	162.20905	155.4
[M+K]+	183.13839	133.9
[M+H-H2O]+	127.17249	131.3
[M+HCOO]-	189.17343	156.4
[M+CH3COO]-	203.18908	177.9
[M+Na-2H]-	165.14990	142.3
[M]+	144.17468	134.4
[M]-	144.17578	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe