CID 135392143

[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol

Structural Information

Molecular Formula

C₆H₁₁FO₂

SMILES

C1C(CC1(CO)CO)F

InChI

InChI=1S/C6H11FO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4H2

InChIKey

UXNNFFARWJSUOF-UHFFFAOYSA-N

Compound name

[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 134.07431 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]+	135.081586	126.1
[M+Na]+	157.063528	132.6
[M-H]-	133.067034	126.2
[M+NH4]+	152.108133	142.3
[M+K]+	173.037468	133.9
[M+H-H2O]+	117.071570	117.3
[M+HCOO]-	179.072511	144.6
[M+CH3COO]-	193.088161	171.0
[M+Na-2H]-	155.048976	131.7
[M]+	134.07376142	131.8
[M]-	134.07485858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe