CID 166363

72928-13-3

Structural Information

Molecular Formula
C14H22O
SMILES
CC1(CCCC2=C1CC(C(=O)C2)(C)C)C
InChI
InChI=1S/C14H22O/c1-13(2)7-5-6-10-8-12(15)14(3,4)9-11(10)13/h5-9H2,1-4H3
InChIKey
APWZTNHOEIXMIH-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethyl-4,6,7,8-tetrahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 146.0
[M+Na]+ 229.15629 153.7
[M-H]- 205.15979 150.4
[M+NH4]+ 224.20089 170.6
[M+K]+ 245.13023 151.1
[M+H-H2O]+ 189.16433 141.4
[M+HCOO]- 251.16527 163.4
[M+CH3COO]- 265.18092 189.1
[M+Na-2H]- 227.14174 151.1
[M]+ 206.16652 143.2
[M]- 206.16762 143.2
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

No patent data available for this compound.