CID 57357864

Succistearin

Structural Information

Molecular Formula

C₂₁H₄₂O₃

SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C)O)O

InChI

InChI=1S/C21H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)21(24)19(2)22/h19,21-22,24H,3-18H2,1-2H3

InChIKey

MNODTZVIGVNIGE-UHFFFAOYSA-N

Compound name

2,3-dihydroxyhenicosan-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 800
Patents: 342.3134 Da
Monoisotopic Mass: 7.5
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]+	343.32068	193.5
[M+Na]+	365.30262	198.5
[M+NH4]+	360.34722	197.2
[M+K]+	381.27656	192.5
[M-H]-	341.30612	190.0
[M+Na-2H]-	363.28807	190.9
[M]+	342.31285	192.7
[M]-	342.31395	192.7

Literature stripe

literature stripe

Patent stripe

patents stripe