CID 382555

Bornane-2,6-dione

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1(C2CC(=O)C1(C(=O)C2)C)C

InChI

InChI=1S/C10H14O2/c1-9(2)6-4-7(11)10(9,3)8(12)5-6/h6H,4-5H2,1-3H3

InChIKey

PCEVUTCFZAQRKV-UHFFFAOYSA-N

Compound name

1,7,7-trimethylbicyclo[2.2.1]heptane-2,6-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 12
Patents: 166.09938 Da
Monoisotopic Mass: 1.2
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]+	167.106656	133.3
[M+Na]+	189.088598	144.1
[M-H]-	165.092104	137.2
[M+NH4]+	184.133203	163.6
[M+K]+	205.062538	141.6
[M+H-H2O]+	149.096640	131.5
[M+HCOO]-	211.097581	155.0
[M+CH3COO]-	225.113231	179.6
[M+Na-2H]-	187.074046	138.2
[M]+	166.09883142	134.7
[M]-	166.09992858	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe