CID 91927207

2055390-08-2

Structural Information

Molecular Formula

SMILES

CC(COC(F)(F)F)N

InChI

InChI=1S/C4H8F3NO/c1-3(8)2-9-4(5,6)7/h3H,2,8H2,1H3

InChIKey

CYHCPKZOQXHZHN-UHFFFAOYSA-N

Compound name

1-(trifluoromethoxy)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 143.0558 Da
Monoisotopic Mass: 0.8
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]+	144.06308	130.5
[M+Na]+	166.04502	136.6
[M+NH4]+	161.08962	135.7
[M+K]+	182.01896	133.4
[M-H]-	142.04852	125.4
[M+Na-2H]-	164.03047	131.9
[M]+	143.05525	129.4
[M]-	143.05635	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe