CID 260917

Nortricyclanol

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1C2CC3C1C3C2O

InChI

InChI=1S/C7H10O/c8-7-3-1-4-5(2-3)6(4)7/h3-8H,1-2H2

InChIKey

OZMQKGXJENMAHL-UHFFFAOYSA-N

Compound name

tricyclo[2.2.1.02,6]heptan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 110.073166 Da
Monoisotopic Mass: 0.7
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]+	111.080442	117.4
[M+Na]+	133.062384	128.0
[M-H]-	109.065890	119.3
[M+NH4]+	128.106989	143.9
[M+K]+	149.036324	123.8
[M+H-H2O]+	93.070426	115.4
[M+HCOO]-	155.071367	135.1
[M+CH3COO]-	169.087017	131.8
[M+Na-2H]-	131.047832	124.3
[M]+	110.07261742	124.0
[M]-	110.07371458	124.0

Literature stripe

literature stripe

Patent stripe

patents stripe