CID 101117

1-bromocyclohexanecarboxamide

Structural Information

Molecular Formula

C₇H₁₂BrNO

SMILES

C1CCC(CC1)(C(=O)N)Br

InChI

InChI=1S/C7H12BrNO/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H2,9,10)

InChIKey

PQAYLNLMILMHJL-UHFFFAOYSA-N

Compound name

1-bromocyclohexane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 205.01022 Da
Monoisotopic Mass: 1.5
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]+	206.01750	138.0
[M+Na]+	227.99944	146.4
[M-H]-	204.00294	143.1
[M+NH4]+	223.04404	161.3
[M+K]+	243.97338	136.3
[M+H-H2O]+	188.00748	138.8
[M+HCOO]-	250.00842	156.2
[M+CH3COO]-	264.02407	182.6
[M+Na-2H]-	225.98489	144.2
[M]+	205.00967	150.5
[M]-	205.01077	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.