CID 84716391

2241139-00-2

Structural Information

Molecular Formula

C₇H₁₃F₂N

SMILES

C1C(CC1C(F)F)CCN

InChI

InChI=1S/C7H13F2N/c8-7(9)6-3-5(4-6)1-2-10/h5-7H,1-4,10H2

InChIKey

XYQUBRZAENETHP-UHFFFAOYSA-N

Compound name

2-[3-(difluoromethyl)cyclobutyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 149.10161 Da
Monoisotopic Mass: 1.5
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]+	150.10889	138.3
[M+Na]+	172.09083	141.9
[M+NH4]+	167.13543	141.6
[M+K]+	188.06477	138.4
[M-H]-	148.09433	134.6
[M+Na-2H]-	170.07628	138.6
[M]+	149.10106	136.3
[M]-	149.10216	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.