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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.169266	154.0
[M+Na]+	257.151208	160.9
[M-H]-	233.154714	156.1
[M+NH4]+	252.195813	173.9
[M+K]+	273.125148	157.2
[M+H-H2O]+	217.159250	149.7
[M+HCOO]-	279.160191	172.3
[M+CH3COO]-	293.175841	191.6
[M+Na-2H]-	255.136656	154.9
[M]+	234.16144142	152.9
[M]-	234.16253858	152.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.