CID 84830

15196-51-7

Structural Information

Molecular Formula
C41H80O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H80O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39(42)44-37-41(3,4)38-45-40(43)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3
InChIKey
WZZRCFLIGSUOOC-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-octadecanoyloxypropyl) octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

538
Patents

636.60565 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.61293 268.7
[M+Na]+ 659.59487 269.2
[M+NH4]+ 654.63947 269.7
[M+K]+ 675.56881 268.7
[M-H]- 635.59837 251.1
[M+Na-2H]- 657.58032 266.2
[M]+ 636.60510 264.3
[M]- 636.60620 264.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe