CID 63680600

2-bromo-n-(cyclopropylmethyl)acetamide

Structural Information

Molecular Formula

C₆H₁₀BrNO

SMILES

C1CC1CNC(=O)CBr

InChI

InChI=1S/C6H10BrNO/c7-3-6(9)8-4-5-1-2-5/h5H,1-4H2,(H,8,9)

InChIKey

QTZLOEUBCGORHK-UHFFFAOYSA-N

Compound name

2-bromo-N-(cyclopropylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 190.99458 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]+	192.001856	134.4
[M+Na]+	213.983798	146.2
[M-H]-	189.987304	141.4
[M+NH4]+	209.028403	152.6
[M+K]+	229.957738	135.1
[M+H-H2O]+	173.991840	133.5
[M+HCOO]-	235.992781	156.4
[M+CH3COO]-	250.008431	185.4
[M+Na-2H]-	211.969246	141.8
[M]+	190.99403142	153.5
[M]-	190.99512858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe