CID 73556429

68311-19-3

Structural Information

Molecular Formula
C16H24O
SMILES
CC1CC2C(=CC1(C)C(=O)C)C=CCC2(C)C
InChI
InChI=1S/C16H24O/c1-11-9-14-13(7-6-8-15(14,3)4)10-16(11,5)12(2)17/h6-7,10-11,14H,8-9H2,1-5H3
InChIKey
OJBDIOZEYSTKHI-UHFFFAOYSA-N
Compound name
1-(2,3,5,5-tetramethyl-3,4,4a,6-tetrahydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 153.1
[M+Na]+ 255.171928 160.7
[M-H]- 231.175434 157.5
[M+NH4]+ 250.216533 176.7
[M+K]+ 271.145868 157.9
[M+H-H2O]+ 215.179970 148.3
[M+HCOO]- 277.180911 170.2
[M+CH3COO]- 291.196561 195.6
[M+Na-2H]- 253.157376 156.9
[M]+ 232.18216142 151.8
[M]- 232.18325858 151.8
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.