CID 520186

117-40-8

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CC1=CC2CC1C3C2C(=O)OC3=O

InChI

InChI=1S/C10H10O3/c1-4-2-5-3-6(4)8-7(5)9(11)13-10(8)12/h2,5-8H,3H2,1H3

InChIKey

JIYNFFGKZCOPKN-UHFFFAOYSA-N

Compound name

8-methyl-4-oxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7023
Patents: 178.06299 Da
Monoisotopic Mass: 0.6
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]+	179.070266	136.2
[M+Na]+	201.052208	146.9
[M-H]-	177.055714	141.8
[M+NH4]+	196.096813	163.5
[M+K]+	217.026148	145.5
[M+H-H2O]+	161.060250	134.6
[M+HCOO]-	223.061191	157.7
[M+CH3COO]-	237.076841	182.0
[M+Na-2H]-	199.037656	138.9
[M]+	178.06244142	139.1
[M]-	178.06353858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe