CID 156587277

Chebi:177903

Structural Information

Molecular Formula
C27H36O2
SMILES
CC1=C[C@@H](CC([C@H]1/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=O)/C)/C)(C)C)O
InChI
InChI=1S/C27H36O2/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-26-24(4)19-25(29)20-27(26,5)6/h7-19,25-26,29H,20H2,1-6H3/b8-7+,13-9+,15-10+,17-16+,21-11+,22-12+,23-14+/t25-,26-/m0/s1
InChIKey
QUMCCRHAAVCYTC-YRJFDJKRSA-N
Compound name
(2E,4E,6E,8E,10E,12E,14E)-15-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.27155 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27883 204.7
[M+Na]+ 415.26077 212.3
[M+NH4]+ 410.30537 209.2
[M+K]+ 431.23471 202.5
[M-H]- 391.26427 202.9
[M+Na-2H]- 413.24622 204.6
[M]+ 392.27100 204.8
[M]- 392.27210 204.8
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

No patent data available for this compound.