CID 98964

4728-34-1

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

C1CC2CC1C3C2C(C(C3)O)O

InChI

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

InChIKey

XZDKBXDSOIMBNM-UHFFFAOYSA-N

Compound name

tricyclo[5.2.1.02,6]decane-3,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 36
Patents: 168.11504 Da
Monoisotopic Mass: 1.3
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]+	169.122316	140.1
[M+Na]+	191.104258	147.5
[M-H]-	167.107764	141.6
[M+NH4]+	186.148863	167.3
[M+K]+	207.078198	144.3
[M+H-H2O]+	151.112300	137.8
[M+HCOO]-	213.113241	157.4
[M+CH3COO]-	227.128891	152.8
[M+Na-2H]-	189.089706	140.5
[M]+	168.11449142	136.8
[M]-	168.11558858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe