CID 45027014

2387594-60-5

Structural Information

Molecular Formula

C₈H₁₃F₂NO₂

SMILES

C1CC(CCC1C(C(=O)O)N)(F)F

InChI

InChI=1S/C8H13F2NO2/c9-8(10)3-1-5(2-4-8)6(11)7(12)13/h5-6H,1-4,11H2,(H,12,13)

InChIKey

HOACGGSRPGHQFC-UHFFFAOYSA-N

Compound name

2-amino-2-(4,4-difluorocyclohexyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 193.09143 Da
Monoisotopic Mass: -1.2
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]+	194.09871	142.3
[M+Na]+	216.08065	148.3
[M+NH4]+	211.12525	149.3
[M+K]+	232.05459	143.3
[M-H]-	192.08415	139.8
[M+Na-2H]-	214.06610	145.0
[M]+	193.09088	141.9
[M]-	193.09198	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe