CID 12470643

2-bromohexanamide

Structural Information

Molecular Formula

C₆H₁₂BrNO

SMILES

CCCCC(C(=O)N)Br

InChI

InChI=1S/C6H12BrNO/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H2,8,9)

InChIKey

KHIMGLDPWJJWRC-UHFFFAOYSA-N

Compound name

2-bromohexanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 193.01022 Da
Monoisotopic Mass: 1.8
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]+	194.01750	137.3
[M+Na]+	215.99944	146.8
[M-H]-	192.00294	139.6
[M+NH4]+	211.04404	159.5
[M+K]+	231.97338	136.6
[M+H-H2O]+	176.00748	137.0
[M+HCOO]-	238.00842	157.2
[M+CH3COO]-	252.02407	184.5
[M+Na-2H]-	213.98489	141.8
[M]+	193.00967	154.3
[M]-	193.01077	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe