CID 6930

Versalide

Structural Information

Molecular Formula
C18H26O
SMILES
CCC1=CC2=C(C=C1C(=O)C)C(CCC2(C)C)(C)C
InChI
InChI=1S/C18H26O/c1-7-13-10-15-16(11-14(13)12(2)19)18(5,6)9-8-17(15,3)4/h10-11H,7-9H2,1-6H3
InChIKey
KSEZPRJUTHMFGZ-UHFFFAOYSA-N
Compound name
1-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

550
Patents

258.19836 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 158.9
[M+Na]+ 281.18758 167.5
[M-H]- 257.19108 163.7
[M+NH4]+ 276.23218 181.8
[M+K]+ 297.16152 164.2
[M+H-H2O]+ 241.19562 154.0
[M+HCOO]- 303.19656 176.8
[M+CH3COO]- 317.21221 202.5
[M+Na-2H]- 279.17303 162.1
[M]+ 258.19781 160.2
[M]- 258.19891 160.2
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.