CID 115012159

(7-oxaspiro[3.5]nonan-2-yl)methanol

Structural Information

Molecular Formula

C₉H₁₆O₂

SMILES

C1COCCC12CC(C2)CO

InChI

InChI=1S/C9H16O2/c10-7-8-5-9(6-8)1-3-11-4-2-9/h8,10H,1-7H2

InChIKey

AVSRKWAKUFAPLU-UHFFFAOYSA-N

Compound name

7-oxaspiro[3.5]nonan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 156.11504 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]+	157.122316	127.9
[M+Na]+	179.104258	131.9
[M-H]-	155.107764	132.3
[M+NH4]+	174.148863	142.7
[M+K]+	195.078198	134.8
[M+H-H2O]+	139.112300	118.7
[M+HCOO]-	201.113241	144.7
[M+CH3COO]-	215.128891	175.5
[M+Na-2H]-	177.089706	135.4
[M]+	156.11449142	132.2
[M]-	156.11558858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe