CID 3025408

N-(2-bromoallyl)-10-undecenamide

Structural Information

Molecular Formula

C₁₄H₂₄BrNO

SMILES

C=CCCCCCCCCC(=O)NCC(=C)Br

InChI

InChI=1S/C14H24BrNO/c1-3-4-5-6-7-8-9-10-11-14(17)16-12-13(2)15/h3H,1-2,4-12H2,(H,16,17)

InChIKey

XZYSEJAUTCAERO-UHFFFAOYSA-N

Compound name

N-(2-bromoprop-2-enyl)undec-10-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 301.10413 Da
Monoisotopic Mass: 4.8
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]+	302.11141	169.5
[M+Na]+	324.09335	176.4
[M-H]-	300.09685	171.0
[M+NH4]+	319.13795	187.8
[M+K]+	340.06729	163.5
[M+H-H2O]+	284.10139	168.0
[M+HCOO]-	346.10233	187.9
[M+CH3COO]-	360.11798	205.3
[M+Na-2H]-	322.07880	171.0
[M]+	301.10358	188.9
[M]-	301.10468	188.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe