CID 15184481

Spiro[4.4]nonan-2-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CCC2(C1)CCC(C2)O

InChI

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

InChIKey

RWVAHZMFOQOBOU-UHFFFAOYSA-N

Compound name

spiro[4.4]nonan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.12012 Da
Monoisotopic Mass: 2.5
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]+	141.12740	134.0
[M+Na]+	163.10934	139.7
[M-H]-	139.11284	137.8
[M+NH4]+	158.15394	160.3
[M+K]+	179.08328	137.6
[M+H-H2O]+	123.11738	129.6
[M+HCOO]-	185.11832	154.3
[M+CH3COO]-	199.13397	168.2
[M+Na-2H]-	161.09479	136.8
[M]+	140.11957	127.6
[M]-	140.12067	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe