CID 6434802

Brn 1702054

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

C/C=C(/C(=O)N(C)C)\Br

InChI

InChI=1S/C6H10BrNO/c1-4-5(7)6(9)8(2)3/h4H,1-3H3/b5-4-

InChIKey

KTWGCBJDXNUCPC-PLNGDYQASA-N

Compound name

(Z)-2-bromo-N,N-dimethylbut-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 190.99458 Da
Monoisotopic Mass: 1.4
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]+	192.00186	134.2
[M+Na]+	213.98380	144.4
[M-H]-	189.98730	138.7
[M+NH4]+	209.02840	157.6
[M+K]+	229.95774	135.4
[M+H-H2O]+	173.99184	134.2
[M+HCOO]-	235.99278	155.5
[M+CH3COO]-	250.00843	186.3
[M+Na-2H]-	211.96925	139.3
[M]+	190.99403	152.7
[M]-	190.99513	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe