CID 53481523

4ova

Structural Information

Molecular Formula
C20H26O2
SMILES
CC1=C(C(C(=O)CC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
InChI
InChI=1S/C20H26O2/c1-15(7-6-8-16(2)13-14-21)9-11-18-17(3)10-12-19(22)20(18,4)5/h6-9,11,13-14H,10,12H2,1-5H3/b8-6+,11-9+,15-7+,16-13+
InChIKey
ZORDCCAUKPDLPN-ZBSJWCJSSA-N
Compound name
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-5-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.19327 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.20055 169.9
[M+Na]+ 321.18249 176.0
[M-H]- 297.18599 172.7
[M+NH4]+ 316.22709 187.8
[M+K]+ 337.15643 170.7
[M+H-H2O]+ 281.19053 165.0
[M+HCOO]- 343.19147 187.7
[M+CH3COO]- 357.20712 206.3
[M+Na-2H]- 319.16794 167.8
[M]+ 298.19272 169.7
[M]- 298.19382 169.7
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.