CID 18163

(cyanomethyl)diethylmethylammonium iodide

Structural Information

Molecular Formula

C₇H₁₅N₂

SMILES

CC[N+](C)(CC)CC#N

InChI

InChI=1S/C7H15N2/c1-4-9(3,5-2)7-6-8/h4-5,7H2,1-3H3/q+1

InChIKey

VBUXSLWBUGXDGK-UHFFFAOYSA-N

Compound name

cyanomethyl-diethyl-methylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 127.12352 Da
Monoisotopic Mass: 0.8
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]+	128.13080	127.0
[M+Na]+	150.11274	135.6
[M-H]-	126.11624	129.5
[M+NH4]+	145.15734	147.7
[M+K]+	166.08668	131.2
[M+H-H2O]+	110.12078	118.8
[M+HCOO]-	172.12172	147.6
[M+CH3COO]-	186.13737	186.1
[M+Na-2H]-	148.09819	136.6
[M]+	127.12297	122.7
[M]-	127.12407	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe