CID 72208066

1363383-40-7

Structural Information

Molecular Formula

C₆H₁₁F₂NO

SMILES

C1C(CC1(F)F)(CN)CO

InChI

InChI=1S/C6H11F2NO/c7-6(8)1-5(2-6,3-9)4-10/h10H,1-4,9H2

InChIKey

IGUARLULXUYQKD-UHFFFAOYSA-N

Compound name

[1-(aminomethyl)-3,3-difluorocyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 151.08087 Da
Monoisotopic Mass: -0.1
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]+	152.08815	131.9
[M+Na]+	174.07009	138.8
[M-H]-	150.07359	131.8
[M+NH4]+	169.11469	149.4
[M+K]+	190.04403	139.9
[M+H-H2O]+	134.07813	122.8
[M+HCOO]-	196.07907	150.9
[M+CH3COO]-	210.09472	178.1
[M+Na-2H]-	172.05554	137.4
[M]+	151.08032	135.4
[M]-	151.08142	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe