CID 9971820

(11z)-8,18-methano-retinal

Structural Information

Molecular Formula
C21H28O
SMILES
C/C(=C\C=O)/C=C\C=C(/C)\C1=CC2=C(CCCC2(C)C)CC1
InChI
InChI=1S/C21H28O/c1-16(12-14-22)7-5-8-17(2)19-11-10-18-9-6-13-21(3,4)20(18)15-19/h5,7-8,12,14-15H,6,9-11,13H2,1-4H3/b7-5-,16-12+,17-8+
InChIKey
UXYMBRVBEUJGTO-VXKSIPEOSA-N
Compound name
(2E,4Z,6E)-7-(8,8-dimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl)-3-methylocta-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.21402 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.22130 174.5
[M+Na]+ 319.20324 178.8
[M-H]- 295.20674 177.3
[M+NH4]+ 314.24784 192.9
[M+K]+ 335.17718 173.1
[M+H-H2O]+ 279.21128 168.3
[M+HCOO]- 341.21222 189.5
[M+CH3COO]- 355.22787 206.2
[M+Na-2H]- 317.18869 173.9
[M]+ 296.21347 171.2
[M]- 296.21457 171.2
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.