CID 84716162

1427173-51-0

Structural Information

Molecular Formula

C₆H₁₁F₂N

SMILES

C1C(CC1(F)F)CCN

InChI

InChI=1S/C6H11F2N/c7-6(8)3-5(4-6)1-2-9/h5H,1-4,9H2

InChIKey

QMARHLUHBNUGCS-UHFFFAOYSA-N

Compound name

2-(3,3-difluorocyclobutyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 135.08595 Da
Monoisotopic Mass: 1.1
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]+	136.09323	127.1
[M+Na]+	158.07517	133.6
[M-H]-	134.07867	128.0
[M+NH4]+	153.11977	144.0
[M+K]+	174.04911	135.1
[M+H-H2O]+	118.08321	116.6
[M+HCOO]-	180.08415	147.4
[M+CH3COO]-	194.09980	178.9
[M+Na-2H]-	156.06062	132.1
[M]+	135.08540	130.6
[M]-	135.08650	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe