CID 19616395

1006328-56-8

Structural Information

Molecular Formula

C₇H₁₀F₃N₃

SMILES

CC(CN1C=CC(=N1)C(F)(F)F)N

InChI

InChI=1S/C7H10F3N3/c1-5(11)4-13-3-2-6(12-13)7(8,9)10/h2-3,5H,4,11H2,1H3

InChIKey

AGCSKUQVZKYSRA-UHFFFAOYSA-N

Compound name

1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 193.08269 Da
Monoisotopic Mass: 0.6
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]+	194.08997	141.3
[M+Na]+	216.07191	147.8
[M+NH4]+	211.11651	145.8
[M+K]+	232.04585	146.0
[M-H]-	192.07541	136.6
[M+Na-2H]-	214.05736	143.6
[M]+	193.08214	140.3
[M]-	193.08324	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe