CID 20195

Bromacrylide

Structural Information

Molecular Formula

C₇H₁₁BrN₂O₂

SMILES

C=CC(=O)NCNC(=O)CCBr

InChI

InChI=1S/C7H11BrN2O2/c1-2-6(11)9-5-10-7(12)3-4-8/h2H,1,3-5H2,(H,9,11)(H,10,12)

InChIKey

CDOUZKKFHVEKRI-UHFFFAOYSA-N

Compound name

3-bromo-N-[(prop-2-enoylamino)methyl]propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27856
Patents: 234.0004 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]+	235.00768	143.6
[M+Na]+	256.98962	152.3
[M-H]-	232.99312	146.1
[M+NH4]+	252.03422	163.9
[M+K]+	272.96356	141.2
[M+H-H2O]+	216.99766	142.1
[M+HCOO]-	278.99860	165.3
[M+CH3COO]-	293.01425	191.5
[M+Na-2H]-	254.97507	148.9
[M]+	233.99985	160.9
[M]-	234.00095	160.9

Literature stripe

literature stripe

Patent stripe

patents stripe