CID 14849117

Bis(2-hexyldecyl) nonanedioate

Structural Information

Molecular Formula
C41H80O4
SMILES
CCCCCCCCC(CCCCCC)COC(=O)CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC
InChI
InChI=1S/C41H80O4/c1-5-9-13-17-20-26-32-38(30-24-15-11-7-3)36-44-40(42)34-28-22-19-23-29-35-41(43)45-37-39(31-25-16-12-8-4)33-27-21-18-14-10-6-2/h38-39H,5-37H2,1-4H3
InChIKey
UJZSAQFQBYHQFV-UHFFFAOYSA-N
Compound name
bis(2-hexyldecyl) nonanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

636.60565 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 637.61293 275.5
[M+Na]+ 659.59487 275.5
[M+NH4]+ 654.63947 277.0
[M+K]+ 675.56881 276.0
[M-H]- 635.59837 259.4
[M+Na-2H]- 657.58032 272.8
[M]+ 636.60510 271.4
[M]- 636.60620 271.4
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