CID 14045176

1245647-03-3

Structural Information

Molecular Formula

C₅H₁₀O₂

SMILES

C1C(CC1O)CO

InChI

InChI=1S/C5H10O2/c6-3-4-1-5(7)2-4/h4-7H,1-3H2

InChIKey

PJMLHATZVMHVHC-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)cyclobutan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 127
Patents: 102.06808 Da
Monoisotopic Mass: -0.3
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]+	103.075356	117.1
[M+Na]+	125.057298	123.1
[M-H]-	101.060804	118.3
[M+NH4]+	120.101903	132.6
[M+K]+	141.031238	125.1
[M+H-H2O]+	85.065340	108.1
[M+HCOO]-	147.066281	137.0
[M+CH3COO]-	161.081931	165.8
[M+Na-2H]-	123.042746	122.9
[M]+	102.06753142	123.3
[M]-	102.06862858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe