CID 155978195

2624129-17-3

Structural Information

Molecular Formula

C₈H₁₄O₂

SMILES

CC12CC(C1)C(CO2)CO

InChI

InChI=1S/C8H14O2/c1-8-2-6(3-8)7(4-9)5-10-8/h6-7,9H,2-5H2,1H3

InChIKey

FLMYFIMEGGUWJF-UHFFFAOYSA-N

Compound name

(1-methyl-2-oxabicyclo[3.1.1]heptan-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.09938 Da
Monoisotopic Mass: 0.4
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]+	143.106656	135.1
[M+Na]+	165.088598	140.5
[M-H]-	141.092104	134.0
[M+NH4]+	160.133203	154.6
[M+K]+	181.062538	143.1
[M+H-H2O]+	125.096640	127.5
[M+HCOO]-	187.097581	147.2
[M+CH3COO]-	201.113231	179.3
[M+Na-2H]-	163.074046	146.9
[M]+	142.09883142	146.4
[M]-	142.09992858	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.