CID 52324

73728-72-0

Structural Information

Molecular Formula

C₁₄H₁₈O₃

SMILES

CC1CC2C3C(C1C=C2C(C)C)C(=O)OC3=O

InChI

InChI=1S/C14H18O3/c1-6(2)8-5-9-7(3)4-10(8)12-11(9)13(15)17-14(12)16/h5-7,9-12H,4H2,1-3H3

InChIKey

OITCDHHARKRUDP-UHFFFAOYSA-N

Compound name

10-methyl-8-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.1256 Da
Monoisotopic Mass: 2.1
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]+	235.132876	151.0
[M+Na]+	257.114818	157.3
[M-H]-	233.118324	151.6
[M+NH4]+	252.159423	174.5
[M+K]+	273.088758	155.6
[M+H-H2O]+	217.122860	147.1
[M+HCOO]-	279.123801	161.6
[M+CH3COO]-	293.139451	162.4
[M+Na-2H]-	255.100266	155.8
[M]+	234.12505142	154.8
[M]-	234.12614858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.