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]+ 233.18999 153.1
[M+Na]+ 255.17193 160.7
[M-H]- 231.17543 157.5
[M+NH4]+ 250.21653 176.7
[M+K]+ 271.14587 157.9
[M+H-H2O]+ 215.17997 148.3
[M+HCOO]- 277.18091 170.2
[M+CH3COO]- 291.19656 195.6
[M+Na-2H]- 253.15738 156.9
[M]+ 232.18216 151.8
[M]- 232.18326 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.