CID 154804784

2306255-69-4

Structural Information

Molecular Formula

C₉H₁₅F₂NO₂

SMILES

C1CC(CCC1C[C@H](C(=O)O)N)(F)F

InChI

InChI=1S/C9H15F2NO2/c10-9(11)3-1-6(2-4-9)5-7(12)8(13)14/h6-7H,1-5,12H2,(H,13,14)/t7-/m1/s1

InChIKey

LXHJNUVCXGOEQF-SSDOTTSWSA-N

Compound name

(2R)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.10709 Da
Monoisotopic Mass: -0.9
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]+	208.11437	144.7
[M+Na]+	230.09631	149.5
[M-H]-	206.09981	143.1
[M+NH4]+	225.14091	164.0
[M+K]+	246.07025	147.7
[M+H-H2O]+	190.10435	138.3
[M+HCOO]-	252.10529	160.2
[M+CH3COO]-	266.12094	185.2
[M+Na-2H]-	228.08176	145.4
[M]+	207.10654	135.9
[M]-	207.10764	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe