CID 247469

6970-72-5

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1CC(C1)(CO)O

InChI

InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2

InChIKey

KTVGYAJQQQUOQX-UHFFFAOYSA-N

Compound name

1-(hydroxymethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 294
Patents: 102.06808 Da
Monoisotopic Mass: -0.4
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	119.1
[M+Na]+	125.05730	124.6
[M+NH4]+	120.10190	124.9
[M+K]+	141.03124	120.3
[M-H]-	101.06080	116.6
[M+Na-2H]-	123.04275	122.7
[M]+	102.06753	117.9
[M]-	102.06863	117.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe