CID 10404001

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

Structural Information

Molecular Formula
C23H32O
SMILES
C/C(=C\C=O)/C=C\C=C(/C)\C\1=C\C2=C(CCCC1)CCCC2(C)C
InChI
InChI=1S/C23H32O/c1-18(14-16-24)9-7-10-19(2)21-12-6-5-11-20-13-8-15-23(3,4)22(20)17-21/h7,9-10,14,16-17H,5-6,8,11-13,15H2,1-4H3/b9-7-,18-14+,19-10+,21-17+
InChIKey
RGGWFVJDHYDPGV-BOVRYGTNSA-N
Compound name
(2E,4Z,6E)-7-[(5E)-4,4-dimethyl-2,3,7,8,9,10-hexahydro-1H-benzo[8]annulen-6-yl]-3-methylocta-2,4,6-trienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.24533 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.25261 180.1
[M+Na]+ 347.23455 183.3
[M-H]- 323.23805 181.4
[M+NH4]+ 342.27915 187.8
[M+K]+ 363.20849 181.5
[M+H-H2O]+ 307.24259 175.9
[M+HCOO]- 369.24353 186.0
[M+CH3COO]- 383.25918 234.5
[M+Na-2H]- 345.22000 176.2
[M]+ 324.24478 178.0
[M]- 324.24588 178.0
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.