CID 235762

2,2'-dihydroxy-bicyclopentyl-1-en-3-one

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CC(C(C1)O)C2=C(C(=O)CC2)O

InChI

InChI=1S/C10H14O3/c11-8-3-1-2-6(8)7-4-5-9(12)10(7)13/h6,8,11,13H,1-5H2

InChIKey

HLUJBRLSHLCCLR-UHFFFAOYSA-N

Compound name

2-hydroxy-3-(2-hydroxycyclopentyl)cyclopent-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.0943 Da
Monoisotopic Mass: 0.2
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]+	183.101576	139.6
[M+Na]+	205.083518	146.6
[M-H]-	181.087024	144.0
[M+NH4]+	200.128123	161.8
[M+K]+	221.057458	144.0
[M+H-H2O]+	165.091560	135.2
[M+HCOO]-	227.092501	160.2
[M+CH3COO]-	241.108151	175.0
[M+Na-2H]-	203.068966	139.3
[M]+	182.09375142	135.6
[M]-	182.09484858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe