CID 14487612

Acetyl dehydrorishitinol

Structural Information

Molecular Formula
C17H22O2
SMILES
CC1=C2CC=C(CC2=C(C=C1)C)C(C)(C)OC(=O)C
InChI
InChI=1S/C17H22O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-8H,9-10H2,1-5H3
InChIKey
IYWWINMILOVFBK-UHFFFAOYSA-N
Compound name
2-(5,8-dimethyl-1,4-dihydronaphthalen-2-yl)propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.162 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 160.4
[M+Na]+ 281.15122 168.1
[M-H]- 257.15472 165.1
[M+NH4]+ 276.19582 179.1
[M+K]+ 297.12516 165.3
[M+H-H2O]+ 241.15926 154.6
[M+HCOO]- 303.16020 178.8
[M+CH3COO]- 317.17585 200.4
[M+Na-2H]- 279.13667 164.3
[M]+ 258.16145 162.8
[M]- 258.16255 162.8
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.