CID 10991978

Arosurf

Structural Information

Molecular Formula

C₂₂H₄₆O₃

SMILES

CC(C)CCCCCCCCCCCCCCCOCCOCCO

InChI

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

InChIKey

ZITBHNVGLSVXEF-UHFFFAOYSA-N

Compound name

2-[2-(16-methylheptadecoxy)ethoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 16
References: 2795
Patents: 358.3447 Da
Monoisotopic Mass: 7.9
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