CID 308457

6,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C12H14O
SMILES
CC1=CC2=C(C=C1C)C(=O)CCC2
InChI
InChI=1S/C12H14O/c1-8-6-10-4-3-5-12(13)11(10)7-9(8)2/h6-7H,3-5H2,1-2H3
InChIKey
CVKLXAQUJMXVMC-UHFFFAOYSA-N
Compound name
6,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

43
Patents

174.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 135.1
[M+Na]+ 197.093678 143.8
[M-H]- 173.097184 140.0
[M+NH4]+ 192.138283 157.2
[M+K]+ 213.067618 140.8
[M+H-H2O]+ 157.101720 129.8
[M+HCOO]- 219.102661 156.2
[M+CH3COO]- 233.118311 183.1
[M+Na-2H]- 195.079126 141.1
[M]+ 174.10391142 133.9
[M]- 174.10500858 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe