CID 86811257

1523617-87-9

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC1(CC(=O)C1)CO

InChI

InChI=1S/C6H10O2/c1-6(4-7)2-5(8)3-6/h7H,2-4H2,1H3

InChIKey

IJYXWHKZTMPPFH-UHFFFAOYSA-N

Compound name

3-(hydroxymethyl)-3-methylcyclobutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 114.06808 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]+	115.075356	120.0
[M+Na]+	137.057298	127.2
[M-H]-	113.060804	123.0
[M+NH4]+	132.101903	137.7
[M+K]+	153.031238	129.4
[M+H-H2O]+	97.065340	112.2
[M+HCOO]-	159.066281	141.3
[M+CH3COO]-	173.081931	170.0
[M+Na-2H]-	135.042746	126.9
[M]+	114.06753142	128.1
[M]-	114.06862858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe