CID 2723965

61855-77-4

Structural Information

Molecular Formula

C₉H₁₂O₂

SMILES

COCC12CC(CC1=O)C=C2

InChI

InChI=1S/C9H12O2/c1-11-6-9-3-2-7(5-9)4-8(9)10/h2-3,7H,4-6H2,1H3

InChIKey

FDMWTALBJHAXIG-UHFFFAOYSA-N

Compound name

1-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 152.08372 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]+	153.090996	132.3
[M+Na]+	175.072938	141.4
[M-H]-	151.076444	135.7
[M+NH4]+	170.117543	160.7
[M+K]+	191.046878	139.7
[M+H-H2O]+	135.080980	128.9
[M+HCOO]-	197.081921	155.7
[M+CH3COO]-	211.097571	175.0
[M+Na-2H]-	173.058386	138.3
[M]+	152.08317142	134.4
[M]-	152.08426858	134.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe