CID 73553979

2,2-difluoro-3-(methylamino)propanoic acid hydrochloride

Structural Information

Molecular Formula

C₄H₇F₂NO₂

SMILES

CNCC(C(=O)O)(F)F

InChI

InChI=1S/C4H7F2NO2/c1-7-2-4(5,6)3(8)9/h7H,2H2,1H3,(H,8,9)

InChIKey

IXLWKIRZYZPTLF-UHFFFAOYSA-N

Compound name

2,2-difluoro-3-(methylamino)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 139.04448 Da
Monoisotopic Mass: -2.2
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]+	140.05176	126.8
[M+Na]+	162.03370	133.3
[M+NH4]+	157.07830	132.0
[M+K]+	178.00764	130.6
[M-H]-	138.03720	121.9
[M+Na-2H]-	160.01915	128.4
[M]+	139.04393	125.8
[M]-	139.04503	125.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe