CID 14849117

Nonanedioic acid, bis(2-hexyldecyl) ester

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 271.4
[M+Na]+ 659.59487 277.1
[M-H]- 635.59837 256.6
[M+NH4]+ 654.63947 276.4
[M+K]+ 675.56881 281.3
[M+H-H2O]+ 619.60291 272.6
[M+HCOO]- 681.60385 270.6
[M+CH3COO]- 695.61950 276.2
[M+Na-2H]- 657.58032 254.6
[M]+ 636.60510 272.1
[M]- 636.60620 272.1
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