CID 42606389

Hexyldecyl isostearate

Structural Information

Molecular Formula
C34H68O2
SMILES
CCCCCCCCC(CCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H68O2/c1-5-7-9-11-21-25-29-33(28-24-10-8-6-2)31-36-34(35)30-26-22-19-17-15-13-12-14-16-18-20-23-27-32(3)4/h32-33H,5-31H2,1-4H3
InChIKey
NCLNAHJFXIKYBY-UHFFFAOYSA-N
Compound name
2-hexyldecyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2413
Patents

508.52194 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.52922 245.9
[M+Na]+ 531.51116 252.7
[M-H]- 507.51466 230.1
[M+NH4]+ 526.55576 247.6
[M+K]+ 547.48510 254.1
[M+H-H2O]+ 491.51920 246.8
[M+HCOO]- 553.52014 249.1
[M+CH3COO]- 567.53579 254.3
[M+Na-2H]- 529.49661 231.7
[M]+ 508.52139 247.0
[M]- 508.52249 247.0
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