CID 353083

2-amino-4,4,4-trifluorobutyric acid

Structural Information

Molecular Formula

C₄H₆F₃NO₂

SMILES

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

InChI

InChI=1S/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)

InChIKey

AQPCXCOPDSEKQT-UHFFFAOYSA-N

Compound name

2-amino-4,4,4-trifluorobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 780
Patents: 157.03506 Da
Monoisotopic Mass: -1.9
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]+	158.04234	126.6
[M+Na]+	180.02428	133.8
[M-H]-	156.02778	121.4
[M+NH4]+	175.06888	146.1
[M+K]+	195.99822	133.1
[M+H-H2O]+	140.03232	120.0
[M+HCOO]-	202.03326	143.9
[M+CH3COO]-	216.04891	175.3
[M+Na-2H]-	178.00973	129.7
[M]+	157.03451	119.8
[M]-	157.03561	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe