CID 16757560

2-bromo-n-cyclopropylacetamide

Structural Information

Molecular Formula

SMILES

C1CC1NC(=O)CBr

InChI

InChI=1S/C5H8BrNO/c6-3-5(8)7-4-1-2-4/h4H,1-3H2,(H,7,8)

InChIKey

AFGORAFRNCMUJC-UHFFFAOYSA-N

Compound name

2-bromo-N-cyclopropylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 157
Patents: 176.97893 Da
Monoisotopic Mass: 0.9
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]+	177.986206	130.1
[M+Na]+	199.968148	142.3
[M-H]-	175.971654	137.3
[M+NH4]+	195.012753	148.8
[M+K]+	215.942088	131.4
[M+H-H2O]+	159.976190	129.4
[M+HCOO]-	221.977131	152.5
[M+CH3COO]-	235.992781	182.7
[M+Na-2H]-	197.953596	138.1
[M]+	176.97838142	148.9
[M]-	176.97947858	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe