CID 46173325

Beta-fenchocamphorone

Structural Information

Molecular Formula

C₁₁H₁₈O

SMILES

CC1(CC2CC1C(C2=O)(C)C)C

InChI

InChI=1S/C11H18O/c1-10(2)6-7-5-8(10)11(3,4)9(7)12/h7-8H,5-6H2,1-4H3

InChIKey

SGMAIFOCTCLBCB-UHFFFAOYSA-N

Compound name

3,3,5,5-tetramethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 166.13577 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]+	167.143046	136.1
[M+Na]+	189.124988	146.3
[M-H]-	165.128494	139.9
[M+NH4]+	184.169593	166.6
[M+K]+	205.098928	143.6
[M+H-H2O]+	149.133030	134.1
[M+HCOO]-	211.133971	157.1
[M+CH3COO]-	225.149621	181.5
[M+Na-2H]-	187.110436	140.3
[M]+	166.13522142	137.1
[M]-	166.13631858	137.1

Literature stripe

literature stripe

Patent stripe

patents stripe