CID 21946541

2-hexyldodecyl hexadecanoate

Structural Information

Molecular Formula
C34H68O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CCCCCC)CCCCCCCCCC
InChI
InChI=1S/C34H68O2/c1-4-7-10-13-15-17-18-19-20-21-23-25-28-31-34(35)36-32-33(29-26-12-9-6-3)30-27-24-22-16-14-11-8-5-2/h33H,4-32H2,1-3H3
InChIKey
RXHUBAANTRZHJN-UHFFFAOYSA-N
Compound name
2-hexyldodecyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

508.52194 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.52922 247.4
[M+Na]+ 531.51116 248.3
[M+NH4]+ 526.55576 246.5
[M+K]+ 547.48510 246.8
[M-H]- 507.51466 229.6
[M+Na-2H]- 529.49661 246.0
[M]+ 508.52139 242.4
[M]- 508.52249 242.4
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