CID 54405670

1364678-00-1

Structural Information

Molecular Formula

C₅H₅F₃N₂O

SMILES

C1=C(ON=C1C(F)(F)F)CN

InChI

InChI=1S/C5H5F3N2O/c6-5(7,8)4-1-3(2-9)11-10-4/h1H,2,9H2

InChIKey

VQMOSOUQQBVCPV-UHFFFAOYSA-N

Compound name

[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 166.0354 Da
Monoisotopic Mass: 0.2
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]+	167.042676	126.7
[M+Na]+	189.024618	136.4
[M-H]-	165.028124	125.8
[M+NH4]+	184.069223	146.1
[M+K]+	204.998558	135.7
[M+H-H2O]+	149.032660	118.6
[M+HCOO]-	211.033601	146.9
[M+CH3COO]-	225.049251	177.1
[M+Na-2H]-	187.010066	133.2
[M]+	166.03485142	122.8
[M]-	166.03594858	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe