CID 276345

134078-23-2

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

C(C12C3C4C1C5C4C3C25)O

InChI

InChI=1S/C9H10O/c10-1-9-6-3-2-4(6)8(9)5(2)7(3)9/h2-8,10H,1H2

InChIKey

SHBYTOJQOCOSPG-UHFFFAOYSA-N

Compound name

cuban-1-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 134.07317 Da
Monoisotopic Mass: 0.3
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]+	135.080446	195.8
[M+Na]+	157.062388	196.9
[M-H]-	133.065894	199.6
[M+NH4]+	152.106993	192.2
[M+K]+	173.036328	201.1
[M+H-H2O]+	117.070430	184.3
[M+HCOO]-	179.071371	198.1
[M+CH3COO]-	193.087021	257.7
[M+Na-2H]-	155.047836	191.7
[M]+	134.07262142	215.4
[M]-	134.07371858	215.4

Literature stripe

literature stripe

Patent stripe

patents stripe