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: 59
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]+	194.098706	140.2
[M+Na]+	216.080648	145.3
[M-H]-	192.084154	138.8
[M+NH4]+	211.125253	160.0
[M+K]+	232.054588	143.8
[M+H-H2O]+	176.088690	134.0
[M+HCOO]-	238.089631	156.0
[M+CH3COO]-	252.105281	182.2
[M+Na-2H]-	214.066096	141.4
[M]+	193.09088142	131.0
[M]-	193.09197858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe