CID 12374120

38339-46-7

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CC1=CC2CC(C1)CC(=O)C2

InChI

InChI=1S/C10H14O/c1-7-2-8-4-9(3-7)6-10(11)5-8/h2,8-9H,3-6H2,1H3

InChIKey

WHCVIUFGYHCQID-UHFFFAOYSA-N

Compound name

7-methylbicyclo[3.3.1]non-6-en-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 150.10446 Da
Monoisotopic Mass: 1.3
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]+	151.11174	130.7
[M+Na]+	173.09368	143.2
[M+NH4]+	168.13828	141.3
[M+K]+	189.06762	135.8
[M-H]-	149.09718	133.2
[M+Na-2H]-	171.07913	135.3
[M]+	150.10391	133.2
[M]-	150.10501	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe