CID 84726007

1429913-34-7

Structural Information

Molecular Formula

C₈H₁₅F₃N₂O₂

SMILES

CC(C)(C)OC(=O)NC(CN)C(F)(F)F

InChI

InChI=1S/C8H15F3N2O2/c1-7(2,3)15-6(14)13-5(4-12)8(9,10)11/h5H,4,12H2,1-3H3,(H,13,14)

InChIKey

DLNPCORHTMWBMT-UHFFFAOYSA-N

Compound name

tert-butyl N-(3-amino-1,1,1-trifluoropropan-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 228.10857 Da
Monoisotopic Mass: 1.2
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]+	229.11585	148.2
[M+Na]+	251.09779	153.9
[M-H]-	227.10129	144.1
[M+NH4]+	246.14239	165.5
[M+K]+	267.07173	153.7
[M+H-H2O]+	211.10583	140.9
[M+HCOO]-	273.10677	165.2
[M+CH3COO]-	287.12242	193.4
[M+Na-2H]-	249.08324	150.9
[M]+	228.10802	143.2
[M]-	228.10912	143.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe