CID 10866961

2-bromo-n-methoxy-n-methylacetamide

Structural Information

Molecular Formula

C₄H₈BrNO₂

SMILES

CN(C(=O)CBr)OC

InChI

InChI=1S/C4H8BrNO2/c1-6(8-2)4(7)3-5/h3H2,1-2H3

InChIKey

GKJMVMJIDBDPDZ-UHFFFAOYSA-N

Compound name

2-bromo-N-methoxy-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 236
Patents: 180.97385 Da
Monoisotopic Mass: 0.6
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]+	181.98113	128.5
[M+Na]+	203.96307	139.3
[M-H]-	179.96657	133.1
[M+NH4]+	199.00767	152.2
[M+K]+	219.93701	131.4
[M+H-H2O]+	163.97111	128.4
[M+HCOO]-	225.97205	151.4
[M+CH3COO]-	239.98770	183.2
[M+Na-2H]-	201.94852	135.8
[M]+	180.97330	149.0
[M]-	180.97440	149.0

Literature stripe

literature stripe

Patent stripe

patents stripe