CID 3024804

Decyl isostearate

Structural Information

Molecular Formula
C28H56O2
SMILES
CCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C28H56O2/c1-4-5-6-7-8-17-20-23-26-30-28(29)25-22-19-16-14-12-10-9-11-13-15-18-21-24-27(2)3/h27H,4-26H2,1-3H3
InChIKey
UUHBCYOCNFWRAH-UHFFFAOYSA-N
Compound name
decyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1130
Patents

424.42804 Da
Monoisotopic Mass

12.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.43532 220.1
[M+Na]+ 447.41726 225.6
[M+NH4]+ 442.46186 226.3
[M+K]+ 463.39120 225.8
[M-H]- 423.42076 218.1
[M+Na-2H]- 445.40271 217.8
[M]+ 424.42749 220.0
[M]- 424.42859 220.0
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

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