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

484
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

literature stripe

Patent stripe

patents stripe