CID 9862975

Isostearyl glyceryl ether

Structural Information

Molecular Formula

C₂₁H₄₄O₃

SMILES

CC(C)CCCCCCCCCCCCCCCOCC(CO)O

InChI

InChI=1S/C21H44O3/c1-20(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-24-19-21(23)18-22/h20-23H,3-19H2,1-2H3

InChIKey

JAUFWPNLLLUYNV-UHFFFAOYSA-N

Compound name

3-(16-methylheptadecoxy)propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3313
Patents: 344.32904 Da
Monoisotopic Mass: 7.3
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]+	345.33632	194.3
[M+Na]+	367.31826	199.6
[M+NH4]+	362.36286	198.4
[M+K]+	383.29220	192.9
[M-H]-	343.32176	191.2
[M+Na-2H]-	365.30371	192.2
[M]+	344.32849	193.7
[M]-	344.32959	193.7

Literature stripe

literature stripe

Patent stripe

patents stripe