CID 43649792

2228785-07-5

Structural Information

Molecular Formula

C₆H₈F₃N₃

SMILES

CC(C1=NC=C(N1)C(F)(F)F)N

InChI

InChI=1S/C6H8F3N3/c1-3(10)5-11-2-4(12-5)6(7,8)9/h2-3H,10H2,1H3,(H,11,12)

InChIKey

NHVNMNALXYHXDM-UHFFFAOYSA-N

Compound name

1-[5-(trifluoromethyl)-1H-imidazol-2-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 179.06703 Da
Monoisotopic Mass: 0.3
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]+	180.07431	136.7
[M+Na]+	202.05625	143.0
[M+NH4]+	197.10085	141.1
[M+K]+	218.03019	141.7
[M-H]-	178.05975	131.7
[M+Na-2H]-	200.04170	138.9
[M]+	179.06648	135.6
[M]-	179.06758	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe