CID 58262

N-(2-bromoallyl)formamide

Structural Information

Molecular Formula

SMILES

C=C(CNC=O)Br

InChI

InChI=1S/C4H6BrNO/c1-4(5)2-6-3-7/h3H,1-2H2,(H,6,7)

InChIKey

HIMDUOONNQPZHJ-UHFFFAOYSA-N

Compound name

N-(2-bromoprop-2-enyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.96329 Da
Monoisotopic Mass: 0.7
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]+	163.97057	124.5
[M+Na]+	185.95251	135.4
[M-H]-	161.95601	127.7
[M+NH4]+	180.99711	148.2
[M+K]+	201.92645	125.1
[M+H-H2O]+	145.96055	124.9
[M+HCOO]-	207.96149	146.9
[M+CH3COO]-	221.97714	177.8
[M+Na-2H]-	183.93796	132.6
[M]+	162.96274	141.9
[M]-	162.96384	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.