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
6
Annotation Hits

0
References

58
Patents

162.10446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 132.8
[M+Na]+ 185.093678 139.9
[M-H]- 161.097184 137.0
[M+NH4]+ 180.138283 154.8
[M+K]+ 201.067618 137.3
[M+H-H2O]+ 145.101720 127.4
[M+HCOO]- 207.102661 152.7
[M+CH3COO]- 221.118311 179.2
[M+Na-2H]- 183.079126 138.9
[M]+ 162.10391142 129.4
[M]- 162.10500858 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe