CID 203455

14477-60-2

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

C1CC(C(=O)C1CO)OCCO

InChI

InChI=1S/C8H14O4/c9-3-4-12-7-2-1-6(5-10)8(7)11/h6-7,9-10H,1-5H2

InChIKey

AFYSAJGWEKEFIP-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethoxy)-5-(hydroxymethyl)cyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 174.0892 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]+	175.09648	136.5
[M+Na]+	197.07842	143.2
[M-H]-	173.08192	137.1
[M+NH4]+	192.12302	157.2
[M+K]+	213.05236	141.7
[M+H-H2O]+	157.08646	131.8
[M+HCOO]-	219.08740	157.1
[M+CH3COO]-	233.10305	173.5
[M+Na-2H]-	195.06387	138.8
[M]+	174.08865	135.8
[M]-	174.08975	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe