CID 101716226

Apo-14'-zeaxanthinal

Structural Information

Molecular Formula
C22H30O2
SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=O)/C)/C
InChI
InChI=1S/C22H30O2/c1-17(9-6-7-14-23)10-8-11-18(2)12-13-21-19(3)15-20(24)16-22(21,4)5/h6-14,20,24H,15-16H2,1-5H3/b7-6+,10-8+,13-12+,17-9+,18-11+/t20-/m1/s1
InChIKey
BCNPTKKIVMTZFO-UWYNECTCSA-N
Compound name
(2E,4E,6E,8E,10E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-5,9-dimethylundeca-2,4,6,8,10-pentaenal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22458 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.231856 180.4
[M+Na]+ 349.213798 185.2
[M-H]- 325.217304 181.4
[M+NH4]+ 344.258403 196.4
[M+K]+ 365.187738 178.5
[M+H-H2O]+ 309.221840 175.4
[M+HCOO]- 371.222781 196.0
[M+CH3COO]- 385.238431 209.1
[M+Na-2H]- 347.199246 176.6
[M]+ 326.22403142 178.9
[M]- 326.22512858 178.9
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.