CID 87337783

Hexyldecyl hexyldecanoate

Structural Information

Molecular Formula
C32H64O2
SMILES
CCCCCCCCCC(CCCCCC)OC(=O)C(CCCCCC)CCCCCCCC
InChI
InChI=1S/C32H64O2/c1-5-9-13-17-19-21-25-29-31(28-24-16-12-8-4)34-32(33)30(26-22-15-11-7-3)27-23-20-18-14-10-6-2/h30-31H,5-29H2,1-4H3
InChIKey
KXMLMTSYPNGSGI-UHFFFAOYSA-N
Compound name
hexadecan-7-yl 2-hexyldecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

480.49063 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.49791 241.3
[M+Na]+ 503.47985 242.4
[M+NH4]+ 498.52445 241.3
[M+K]+ 519.45379 240.5
[M-H]- 479.48335 225.4
[M+Na-2H]- 501.46530 233.4
[M]+ 480.49008 236.8
[M]- 480.49118 236.8
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

patents stripe