CID 12936024

70358-65-5

Structural Information

Molecular Formula
C13H16O
SMILES
CC1=CC2=C(C=C1)C(CCC2=O)(C)C
InChI
InChI=1S/C13H16O/c1-9-4-5-11-10(8-9)12(14)6-7-13(11,2)3/h4-5,8H,6-7H2,1-3H3
InChIKey
BANHFMVTHCHWSC-UHFFFAOYSA-N
Compound name
4,4,7-trimethyl-2,3-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

188.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 141.2
[M+Na]+ 211.10934 155.5
[M+NH4]+ 206.15394 152.8
[M+K]+ 227.08328 145.6
[M-H]- 187.11284 144.9
[M+Na-2H]- 209.09479 149.2
[M]+ 188.11957 144.6
[M]- 188.12067 144.6
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