CID 105436072

2361586-09-4

Structural Information

Molecular Formula

C₈H₁₄FNO₂

SMILES

C1CC(CCC1C(=O)O)(CN)F

InChI

InChI=1S/C8H14FNO2/c9-8(5-10)3-1-6(2-4-8)7(11)12/h6H,1-5,10H2,(H,11,12)

InChIKey

SNXPKLNRVHVBCE-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-4-fluorocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.10086 Da
Monoisotopic Mass: -2.0
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]+	176.108136	137.3
[M+Na]+	198.090078	142.6
[M-H]-	174.093584	137.2
[M+NH4]+	193.134683	158.0
[M+K]+	214.064018	141.0
[M+H-H2O]+	158.098120	131.9
[M+HCOO]-	220.099061	155.2
[M+CH3COO]-	234.114711	178.4
[M+Na-2H]-	196.075526	140.3
[M]+	175.10031142	129.9
[M]-	175.10140858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.