CID 281947

31307-24-1

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

CC12C3CC(C1C(=O)OC2=O)C=C3

InChI

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

InChIKey

LTVUCOSIZFEASK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2282
Patents: 178.06299 Da
Monoisotopic Mass: 1.0
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	135.8
[M+Na]+	201.052208	146.7
[M-H]-	177.055714	141.4
[M+NH4]+	196.096813	164.8
[M+K]+	217.026148	145.1
[M+H-H2O]+	161.060250	134.3
[M+HCOO]-	223.061191	157.3
[M+CH3COO]-	237.076841	151.2
[M+Na-2H]-	199.037656	140.3
[M]+	178.06244142	138.6
[M]-	178.06353858	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe