CID 10534726

67654-64-2

Structural Information

Molecular Formula

C₄H₇F₂NO₂

SMILES

CC(C(F)F)(C(=O)O)N

InChI

InChI=1S/C4H7F2NO2/c1-4(7,2(5)6)3(8)9/h2H,7H2,1H3,(H,8,9)

InChIKey

RKQHFEJWTUHAIH-UHFFFAOYSA-N

Compound name

2-amino-3,3-difluoro-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 139.04448 Da
Monoisotopic Mass: -2.3
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]+	140.05176	124.1
[M+Na]+	162.03370	131.1
[M-H]-	138.03720	120.3
[M+NH4]+	157.07830	144.3
[M+K]+	178.00764	130.9
[M+H-H2O]+	122.04174	118.4
[M+HCOO]-	184.04268	142.4
[M+CH3COO]-	198.05833	173.1
[M+Na-2H]-	160.01915	127.8
[M]+	139.04393	118.7
[M]-	139.04503	118.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe