CID 13411843

1-bromocyclohexanecarboxylic acid

Structural Information

Molecular Formula

C₇H₁₁BrO₂

SMILES

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

InChI

InChI=1S/C7H11BrO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10)

InChIKey

KHFXNUAYBKPUKC-UHFFFAOYSA-N

Compound name

1-bromocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 75
Patents: 205.99425 Da
Monoisotopic Mass: 2.2
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]+	207.00153	137.7
[M+Na]+	228.98347	138.4
[M+NH4]+	224.02807	143.6
[M+K]+	244.95741	138.0
[M-H]-	204.98697	137.2
[M+Na-2H]-	226.96892	140.5
[M]+	205.99370	136.4
[M]-	205.99480	136.4

Literature stripe

literature stripe

Patent stripe

patents stripe