CID 124527003

1212306-68-7

Structural Information

Molecular Formula

C₁₀H₁₄F₃NO₄

SMILES

CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C(F)(F)F)C(=O)O

InChI

InChI=1S/C10H14F3NO4/c1-8(2,3)18-7(17)14-9(6(15)16)4-5(9)10(11,12)13/h5H,4H2,1-3H3,(H,14,17)(H,15,16)/t5-,9-/m1/s1

InChIKey

KJGSUQDOMSXKIH-MLUIRONXSA-N

Compound name

cis-(1R,2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.0875 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]+	270.094776	148.6
[M+Na]+	292.076718	157.2
[M-H]-	268.080224	148.4
[M+NH4]+	287.121323	161.5
[M+K]+	308.050658	155.4
[M+H-H2O]+	252.084760	142.9
[M+HCOO]-	314.085701	163.8
[M+CH3COO]-	328.101351	197.6
[M+Na-2H]-	290.062166	153.1
[M]+	269.08695142	149.2
[M]-	269.08804858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.