CID 316768

93433-97-7

Structural Information

Molecular Formula

C₁₆H₁₆O₂

SMILES

C1CC2CC1C3=C2C(=O)C4=C(C3=O)C5CCC4C5

InChI

InChI=1S/C16H16O2/c17-15-11-7-1-2-8(5-7)12(11)16(18)14-10-4-3-9(6-10)13(14)15/h7-10H,1-6H2

InChIKey

WDWXKSFSXJJWIR-UHFFFAOYSA-N

Compound name

pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-2(11),4(9)-diene-3,10-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 240.11504 Da
Monoisotopic Mass: 2.6
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]+	241.122316	158.0
[M+Na]+	263.104258	167.2
[M-H]-	239.107764	163.3
[M+NH4]+	258.148863	187.6
[M+K]+	279.078198	161.8
[M+H-H2O]+	223.112300	156.5
[M+HCOO]-	285.113241	175.1
[M+CH3COO]-	299.128891	170.8
[M+Na-2H]-	261.089706	156.1
[M]+	240.11449142	158.5
[M]-	240.11558858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe