CID 11830025

N-(3-bromopropyl)acetamide

Structural Information

Molecular Formula

C₅H₁₀BrNO

SMILES

CC(=O)NCCCBr

InChI

InChI=1S/C5H10BrNO/c1-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)

InChIKey

RLSOQVJIKIEVKP-UHFFFAOYSA-N

Compound name

N-(3-bromopropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 178.99458 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]+	180.001856	131.1
[M+Na]+	201.983798	141.3
[M-H]-	177.987304	134.2
[M+NH4]+	197.028403	154.3
[M+K]+	217.957738	131.4
[M+H-H2O]+	161.991840	131.2
[M+HCOO]-	223.992781	153.0
[M+CH3COO]-	238.008431	180.9
[M+Na-2H]-	199.969246	138.5
[M]+	178.99403142	149.4
[M]-	178.99512858	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe