CID 16061324

8-18 bonded retinal

Structural Information

Molecular Formula
C20H26O
SMILES
C/C(=C\C=O)/C=C/C=C(/C)\C1=CC2=C(C1)CCCC2(C)C
InChI
InChI=1S/C20H26O/c1-15(10-12-21)7-5-8-16(2)18-13-17-9-6-11-20(3,4)19(17)14-18/h5,7-8,10,12,14H,6,9,11,13H2,1-4H3/b7-5+,15-10+,16-8-
InChIKey
IFPIFYXTWQFSRF-SJJLUNSHSA-N
Compound name
(2E,4E,6Z)-7-(4,4-dimethyl-1,5,6,7-tetrahydroinden-2-yl)-3-methylocta-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.19836 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.20564 172.2
[M+Na]+ 305.18758 177.9
[M-H]- 281.19108 175.7
[M+NH4]+ 300.23218 193.2
[M+K]+ 321.16152 172.2
[M+H-H2O]+ 265.19562 167.0
[M+HCOO]- 327.19656 189.8
[M+CH3COO]- 341.21221 202.7
[M+Na-2H]- 303.17303 170.6
[M]+ 282.19781 170.8
[M]- 282.19891 170.8
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.