CID 276354

Decahydro-cyclobutadicyclopentene-1,4-diol

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CC(C2C1C3C2CCC3O)O

InChI

InChI=1S/C10H16O2/c11-7-3-1-5-9(7)6-2-4-8(12)10(5)6/h5-12H,1-4H2

InChIKey

CFYUQSXXJZGPEE-UHFFFAOYSA-N

Compound name

tricyclo[5.3.0.02,6]decane-3,8-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.11504 Da
Monoisotopic Mass: 0.8
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]+	169.122316	133.0
[M+Na]+	191.104258	138.9
[M-H]-	167.107764	135.9
[M+NH4]+	186.148863	151.6
[M+K]+	207.078198	138.6
[M+H-H2O]+	151.112300	125.6
[M+HCOO]-	213.113241	149.6
[M+CH3COO]-	227.128891	179.1
[M+Na-2H]-	189.089706	134.6
[M]+	168.11449142	138.1
[M]-	168.11558858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.