CID 72190299

9-(stearoyloxy)stearate

Structural Information

Molecular Formula
C36H70O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)O
InChI
InChI=1S/C36H70O4/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-25-29-33-36(39)40-34(30-26-22-19-10-8-6-4-2)31-27-23-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)
InChIKey
NQJLCZWOOVLQNP-UHFFFAOYSA-N
Compound name
9-octadecanoyloxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

566.5274 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.53468 257.0
[M+Na]+ 589.51662 257.6
[M+NH4]+ 584.56122 257.2
[M+K]+ 605.49056 257.1
[M-H]- 565.52012 241.6
[M+Na-2H]- 587.50207 255.6
[M]+ 566.52685 252.8
[M]- 566.52795 252.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.