CID 16061322

11-cis retro-gamma-retinal

Structural Information

Molecular Formula
C20H28O
SMILES
C/C(=C\C=C/C(=C/C=O)/C)/C/C=C/1\C(=C)CCCC1(C)C
InChI
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,12-13,15H,3,7,10-11,14H2,1-2,4-5H3/b9-6-,16-8+,17-13+,19-12+
InChIKey
XHBHYZOZHVKBDH-GFSIGSNMSA-N
Compound name
(2E,4Z,6E,9Z)-9-(2,2-dimethyl-6-methylidenecyclohexylidene)-3,7-dimethylnona-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.21402 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.22130 170.0
[M+Na]+ 307.20324 174.2
[M-H]- 283.20674 172.1
[M+NH4]+ 302.24784 188.1
[M+K]+ 323.17718 168.4
[M+H-H2O]+ 267.21128 165.0
[M+HCOO]- 329.21222 186.1
[M+CH3COO]- 343.22787 203.4
[M+Na-2H]- 305.18869 167.3
[M]+ 284.21347 166.4
[M]- 284.21457 166.4
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

No patent data available for this compound.