CID 58875470

2-methylcyclobutane-1,3-diol,mixtureofdiastereomers

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

CC1C(CC1O)O

InChI

InChI=1S/C5H10O2/c1-3-4(6)2-5(3)7/h3-7H,2H2,1H3

InChIKey

WURCECLRQBMYHM-UHFFFAOYSA-N

Compound name

2-methylcyclobutane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 102.06808 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]+	103.07536	118.3
[M+Na]+	125.05730	124.3
[M+NH4]+	120.10190	122.6
[M+K]+	141.03124	122.1
[M-H]-	101.06080	115.8
[M+Na-2H]-	123.04275	119.9
[M]+	102.06753	117.0
[M]-	102.06863	117.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe