CID 101148957

Apo-11-zeaxanthinal

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=O)/C
InChI
InChI=1S/C15H22O2/c1-11(7-8-16)5-6-14-12(2)9-13(17)10-15(14,3)4/h5-8,13,17H,9-10H2,1-4H3/b6-5+,11-7+/t13-/m1/s1
InChIKey
YMYPOEDCYSNBAO-NECKEDLISA-N
Compound name
(2E,4E)-5-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3-methylpenta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 157.5
[M+Na]+ 257.15121 168.0
[M+NH4]+ 252.19581 165.7
[M+K]+ 273.12515 159.7
[M-H]- 233.15471 158.0
[M+Na-2H]- 255.13666 161.7
[M]+ 234.16144 159.0
[M]- 234.16254 159.0
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.