CID 53487089

849671-56-3

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CC2(CCC1CO)CC2

InChI

InChI=1S/C9H16O/c10-7-8-1-3-9(4-2-8)5-6-9/h8,10H,1-7H2

InChIKey

CPOBXDZHERXVFP-UHFFFAOYSA-N

Compound name

spiro[2.5]octan-6-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 140.12012 Da
Monoisotopic Mass: 2.3
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]+	141.12740	131.8
[M+Na]+	163.10934	139.1
[M-H]-	139.11284	136.7
[M+NH4]+	158.15394	150.0
[M+K]+	179.08328	137.5
[M+H-H2O]+	123.11738	126.8
[M+HCOO]-	185.11832	150.8
[M+CH3COO]-	199.13397	174.0
[M+Na-2H]-	161.09479	138.6
[M]+	140.11957	129.4
[M]-	140.12067	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe