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
3
Annotation Hits

0
References

1907
Patents

508.52194 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.529216 245.9
[M+Na]+ 531.511158 252.7
[M-H]- 507.514664 230.1
[M+NH4]+ 526.555763 247.6
[M+K]+ 547.485098 254.1
[M+H-H2O]+ 491.519200 246.8
[M+HCOO]- 553.520141 249.1
[M+CH3COO]- 567.535791 254.3
[M+Na-2H]- 529.496606 231.7
[M]+ 508.52139142 247.0
[M]- 508.52248858 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