CID 71587996

Cetiol sl6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe