CID 61935

34545-88-5

Structural Information

Molecular Formula

C₁₁H₁₄O

SMILES

CC1=CC2=CC(=O)CCC2CC1

InChI

InChI=1S/C11H14O/c1-8-2-3-9-4-5-11(12)7-10(9)6-8/h6-7,9H,2-5H2,1H3

InChIKey

NGSXTBFUMNXJDK-UHFFFAOYSA-N

Compound name

7-methyl-4,4a,5,6-tetrahydro-3H-naphthalen-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 72
Patents: 162.10446 Da
Monoisotopic Mass: 1.5
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]+	163.11174	132.8
[M+Na]+	185.09368	139.9
[M-H]-	161.09718	137.0
[M+NH4]+	180.13828	154.8
[M+K]+	201.06762	137.3
[M+H-H2O]+	145.10172	127.4
[M+HCOO]-	207.10266	152.7
[M+CH3COO]-	221.11831	179.2
[M+Na-2H]-	183.07913	138.9
[M]+	162.10391	129.4
[M]-	162.10501	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe