CID 56601

93227-03-3

Structural Information

Molecular Formula

C₈H₁₇N₂O

SMILES

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

InChI

InChI=1S/C8H17N2O/c1-10(2,3)6-8-11-7-4-5-9/h4,6-8H2,1-3H3/q+1

InChIKey

MRNCOCIXALRXFR-UHFFFAOYSA-N

Compound name

2-(2-cyanoethoxy)ethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 157.1341 Da
Monoisotopic Mass: -0.2
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]+	158.14138	133.7
[M+Na]+	180.12332	141.8
[M-H]-	156.12682	135.9
[M+NH4]+	175.16792	153.2
[M+K]+	196.09726	137.5
[M+H-H2O]+	140.13136	125.0
[M+HCOO]-	202.13230	154.1
[M+CH3COO]-	216.14795	190.5
[M+Na-2H]-	178.10877	142.8
[M]+	157.13355	130.9
[M]-	157.13465	130.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe