CID 459930

83167-59-3

Structural Information

Molecular Formula

C₂₂H₄₆O₃

SMILES

CCCCCCCCCCCCCCCCCCOC[C@H](CO)OC

InChI

InChI=1S/C22H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-21-22(20-23)24-2/h22-23H,3-21H2,1-2H3/t22-/m0/s1

InChIKey

JWBOVDKFGDXGCR-QFIPXVFZSA-N

Compound name

(2S)-2-methoxy-3-octadecoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 128
Patents: 358.3447 Da
Monoisotopic Mass: 8.1
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]+	359.35198	198.0
[M+Na]+	381.33392	204.0
[M+NH4]+	376.37852	202.5
[M+K]+	397.30786	195.9
[M-H]-	357.33742	195.7
[M+Na-2H]-	379.31937	196.6
[M]+	358.34415	197.8
[M]-	358.34525	197.8

Literature stripe

literature stripe

Patent stripe

patents stripe