CID 135357855

4-(2-bromoethyl)-n,n-dimethylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₄BrNO

SMILES

CN(C)C(=O)C1=CC=C(C=C1)CCBr

InChI

InChI=1S/C11H14BrNO/c1-13(2)11(14)10-5-3-9(4-6-10)7-8-12/h3-6H,7-8H2,1-2H3

InChIKey

GQHVQFNDNSTEMZ-UHFFFAOYSA-N

Compound name

4-(2-bromoethyl)-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 255.02588 Da
Monoisotopic Mass: 2.4
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]+	256.033156	150.0
[M+Na]+	278.015098	159.9
[M-H]-	254.018604	157.3
[M+NH4]+	273.059703	171.0
[M+K]+	293.989038	149.8
[M+H-H2O]+	238.023140	149.0
[M+HCOO]-	300.024081	172.1
[M+CH3COO]-	314.039731	197.6
[M+Na-2H]-	276.000546	155.5
[M]+	255.02533142	169.8
[M]-	255.02642858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe