CID 14020380

5-methoxybicyclo[2.2.1]heptan-2-one

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

COC1CC2CC1CC2=O

InChI

InChI=1S/C8H12O2/c1-10-8-4-5-2-6(8)3-7(5)9/h5-6,8H,2-4H2,1H3

InChIKey

JJAZPXZSNVRJPC-UHFFFAOYSA-N

Compound name

5-methoxybicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.08372 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]+	141.09100	128.4
[M+Na]+	163.07294	137.4
[M+NH4]+	158.11754	137.9
[M+K]+	179.04688	135.5
[M-H]-	139.07644	128.5
[M+Na-2H]-	161.05839	129.8
[M]+	140.08317	129.4
[M]-	140.08427	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.