CID 201602

6340-35-8

Structural Information

Molecular Formula

C₅H₁₁N₂

SMILES

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

InChI

InChI=1S/C5H11N2/c1-7(2,3)5-4-6/h5H2,1-3H3/q+1

InChIKey

FCFDNBCKGVPNOG-UHFFFAOYSA-N

Compound name

cyanomethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 281
Patents: 99.092224 Da
Monoisotopic Mass: 0.1
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]+	100.09950	119.2
[M+Na]+	122.08144	131.2
[M+NH4]+	117.12605	125.7
[M+K]+	138.05538	123.5
[M-H]-	98.084948	114.5
[M+Na-2H]-	120.06689	123.4
[M]+	99.091675	119.1
[M]-	99.092773	119.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe