CID 14035234

Phytal

Structural Information

Molecular Formula

C₂₀H₃₈O

SMILES

CC(C)CCCC(C)CCCC(C)CCC/C(=C/C=O)/C

InChI

InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+

InChIKey

RAFZYSUICBQABU-HMMYKYKNSA-N

Compound name

(E)-3,7,11,15-tetramethylhexadec-2-enal

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 816
Patents: 294.29227 Da
Monoisotopic Mass: 8.3
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]+	295.29955	184.2
[M+Na]+	317.28149	185.6
[M-H]-	293.28499	182.4
[M+NH4]+	312.32609	199.7
[M+K]+	333.25543	182.7
[M+H-H2O]+	277.28953	177.9
[M+HCOO]-	339.29047	200.1
[M+CH3COO]-	353.30612	212.1
[M+Na-2H]-	315.26694	178.9
[M]+	294.29172	188.2
[M]-	294.29282	188.2

Literature stripe

literature stripe

Patent stripe

patents stripe