CID 24711079

1177279-98-9

Structural Information

Molecular Formula

C₆H₁₂F₃N

SMILES

CC(C)CNCC(F)(F)F

InChI

InChI=1S/C6H12F3N/c1-5(2)3-10-4-6(7,8)9/h5,10H,3-4H2,1-2H3

InChIKey

MCLRCJSTBMJBHR-UHFFFAOYSA-N

Compound name

2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 155.09218 Da
Monoisotopic Mass: 2.2
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]+	156.09946	130.7
[M+Na]+	178.08140	137.4
[M-H]-	154.08490	127.1
[M+NH4]+	173.12600	151.6
[M+K]+	194.05534	136.8
[M+H-H2O]+	138.08944	123.8
[M+HCOO]-	200.09038	149.8
[M+CH3COO]-	214.10603	180.8
[M+Na-2H]-	176.06685	135.5
[M]+	155.09163	126.1
[M]-	155.09273	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe