CID 58280

Nsc665667

Structural Information

Molecular Formula

C₆H₁₁BrN₂

SMILES

CN(C)C=NCC(=C)Br

InChI

InChI=1S/C6H11BrN2/c1-6(7)4-8-5-9(2)3/h5H,1,4H2,2-3H3

InChIKey

UVGQWRXKUXYVOQ-UHFFFAOYSA-N

Compound name

N'-(2-bromoprop-2-enyl)-N,N-dimethylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.01056 Da
Monoisotopic Mass: 1.1
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]+	191.01784	134.1
[M+Na]+	212.99978	144.0
[M-H]-	189.00328	139.7
[M+NH4]+	208.04438	157.8
[M+K]+	228.97372	134.8
[M+H-H2O]+	173.00782	133.1
[M+HCOO]-	235.00876	158.4
[M+CH3COO]-	249.02441	191.4
[M+Na-2H]-	210.98523	141.0
[M]+	190.01001	152.9
[M]-	190.01111	152.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.