CID 54083853

Schembl6425156

Structural Information

Molecular Formula
C26H38O2
SMILES
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C2CCCC2)C)C
InChI
InChI=1S/C26H38O2/c1-20(15-16-24-22(3)12-9-18-26(24,4)5)10-8-11-21(2)17-19-28-25(27)23-13-6-7-14-23/h8,10-11,15-17,23H,6-7,9,12-14,18-19H2,1-5H3
InChIKey
MPACCMIQWWLTLS-UHFFFAOYSA-N
Compound name
[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] cyclopentanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

382.28717 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.294446 201.9
[M+Na]+ 405.276388 203.0
[M-H]- 381.279894 206.0
[M+NH4]+ 400.320993 217.2
[M+K]+ 421.250328 197.0
[M+H-H2O]+ 365.284430 195.3
[M+HCOO]- 427.285371 215.6
[M+CH3COO]- 441.301021 220.3
[M+Na-2H]- 403.261836 193.6
[M]+ 382.28662142 198.4
[M]- 382.28771858 198.4
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

patents stripe