CID 11018862

422318-76-1

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C1CC12C(C23CC3)CO

InChI

InChI=1S/C8H12O/c9-5-6-7(1-2-7)8(6)3-4-8/h6,9H,1-5H2

InChIKey

URYINZIMUWFPJK-UHFFFAOYSA-N

Compound name

dispiro[2.0.24.13]heptan-7-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 111
Patents: 124.08881 Da
Monoisotopic Mass: 1.5
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]+	125.09609	96.6
[M+Na]+	147.07803	107.5
[M+NH4]+	142.12263	106.3
[M+K]+	163.05197	107.5
[M-H]-	123.08153	112.7
[M+Na-2H]-	145.06348	111.0
[M]+	124.08826	105.2
[M]-	124.08936	105.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe