CID 80361357

Spiro[3.5]nonan-2-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CCC2(CC1)CC(C2)O

InChI

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

InChIKey

DPAJEZBCBYLOPF-UHFFFAOYSA-N

Compound name

spiro[3.5]nonan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 140.12012 Da
Monoisotopic Mass: 2.7
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]+	141.12740	127.5
[M+Na]+	163.10934	131.6
[M-H]-	139.11284	131.3
[M+NH4]+	158.15394	144.1
[M+K]+	179.08328	132.8
[M+H-H2O]+	123.11738	118.3
[M+HCOO]-	185.11832	144.9
[M+CH3COO]-	199.13397	173.6
[M+Na-2H]-	161.09479	133.8
[M]+	140.11957	129.7
[M]-	140.12067	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe