CID 550030

Alpha-fenchocamphorone

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CC1(C2CCC1C(=O)C2)C

InChI

InChI=1S/C9H14O/c1-9(2)6-3-4-7(9)8(10)5-6/h6-7H,3-5H2,1-2H3

InChIKey

DOCLMTQMWGMALI-UHFFFAOYSA-N

Compound name

7,7-dimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 336
Patents: 138.10446 Da
Monoisotopic Mass: 1.8
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]+	139.11174	130.2
[M+Na]+	161.09368	139.3
[M-H]-	137.09718	133.7
[M+NH4]+	156.13828	159.5
[M+K]+	177.06762	137.3
[M+H-H2O]+	121.10172	127.3
[M+HCOO]-	183.10266	151.9
[M+CH3COO]-	197.11831	174.6
[M+Na-2H]-	159.07913	134.6
[M]+	138.10391	129.7
[M]-	138.10501	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe