CID 124127913

2055390-07-1

Structural Information

Molecular Formula

C₅H₁₀F₃NO

SMILES

CCC(COC(F)(F)F)N

InChI

InChI=1S/C5H10F3NO/c1-2-4(9)3-10-5(6,7)8/h4H,2-3,9H2,1H3

InChIKey

HPZAASREOWYGAD-UHFFFAOYSA-N

Compound name

1-(trifluoromethoxy)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 157.07144 Da
Monoisotopic Mass: 1.3
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]+	158.07872	129.4
[M+Na]+	180.06066	136.6
[M-H]-	156.06416	125.4
[M+NH4]+	175.10526	149.9
[M+K]+	196.03460	136.2
[M+H-H2O]+	140.06870	122.4
[M+HCOO]-	202.06964	148.4
[M+CH3COO]-	216.08529	179.0
[M+Na-2H]-	178.04611	133.7
[M]+	157.07089	124.9
[M]-	157.07199	124.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe