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: 58
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]+	125.096086	159.0
[M+Na]+	147.078028	163.4
[M-H]-	123.081534	164.8
[M+NH4]+	142.122633	165.0
[M+K]+	163.051968	166.6
[M+H-H2O]+	107.086070	156.4
[M+HCOO]-	169.087011	171.2
[M+CH3COO]-	183.102661	165.6
[M+Na-2H]-	145.063476	160.9
[M]+	124.08826142	162.3
[M]-	124.08935858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe