CID 86136622

98627-41-9

Structural Information

Molecular Formula

C₁₂H₂₂O

SMILES

CC1(CCCCC12CCCCC2)O

InChI

InChI=1S/C12H22O/c1-11(13)7-5-6-10-12(11)8-3-2-4-9-12/h13H,2-10H2,1H3

InChIKey

WQGLFRCXIMPVEQ-UHFFFAOYSA-N

Compound name

5-methylspiro[5.5]undecan-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.16707 Da
Monoisotopic Mass: 3.4
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]+	183.17435	145.5
[M+Na]+	205.15629	149.0
[M-H]-	181.15979	148.6
[M+NH4]+	200.20089	168.5
[M+K]+	221.13023	146.7
[M+H-H2O]+	165.16433	140.2
[M+HCOO]-	227.16527	160.5
[M+CH3COO]-	241.18092	177.3
[M+Na-2H]-	203.14174	150.5
[M]+	182.16652	136.2
[M]-	182.16762	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.