CID 83619

13621-25-5

Structural Information

Molecular Formula

C₁₂H₁₄O

SMILES

CC1=CC(=C2CCCC(=O)C2=C1)C

InChI

InChI=1S/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3

InChIKey

UYJCNOMEGPDXMV-UHFFFAOYSA-N

Compound name

5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 381
Patents: 174.10446 Da
Monoisotopic Mass: 2.8
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]+	175.11174	135.1
[M+Na]+	197.09368	143.8
[M-H]-	173.09718	140.0
[M+NH4]+	192.13828	157.2
[M+K]+	213.06762	140.8
[M+H-H2O]+	157.10172	129.8
[M+HCOO]-	219.10266	156.2
[M+CH3COO]-	233.11831	183.1
[M+Na-2H]-	195.07913	141.1
[M]+	174.10391	133.9
[M]-	174.10501	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe