CID 59381466

Brapa

Structural Information

Molecular Formula

C₁₀H₁₇BrN₂O₂

SMILES

C=CC(=O)NCCCCCNC(=O)CBr

InChI

InChI=1S/C10H17BrN2O2/c1-2-9(14)12-6-4-3-5-7-13-10(15)8-11/h2H,1,3-8H2,(H,12,14)(H,13,15)

InChIKey

KVLNTIPUCYZQHA-UHFFFAOYSA-N

Compound name

N-[5-[(2-bromoacetyl)amino]pentyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 962
Patents: 276.04733 Da
Monoisotopic Mass: 1.3
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]+	277.05461	157.2
[M+Na]+	299.03655	164.6
[M-H]-	275.04005	159.1
[M+NH4]+	294.08115	175.9
[M+K]+	315.01049	152.8
[M+H-H2O]+	259.04459	155.1
[M+HCOO]-	321.04553	177.8
[M+CH3COO]-	335.06118	200.0
[M+Na-2H]-	297.02200	160.8
[M]+	276.04678	175.5
[M]-	276.04788	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe