CID 66957

8-methylnonyl nonanoate

Structural Information

Molecular Formula
C19H38O2
SMILES
CCCCCCCCC(=O)OCCCCCCCC(C)C
InChI
InChI=1S/C19H38O2/c1-4-5-6-7-10-13-16-19(20)21-17-14-11-8-9-12-15-18(2)3/h18H,4-17H2,1-3H3
InChIKey
GBLPOPTXAXWWPO-UHFFFAOYSA-N
Compound name
8-methylnonyl nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

548
Patents

298.28717 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.29445 181.2
[M+Na]+ 321.27639 188.6
[M+NH4]+ 316.32099 186.8
[M+K]+ 337.25033 181.1
[M-H]- 297.27989 179.7
[M+Na-2H]- 319.26184 181.2
[M]+ 298.28662 181.5
[M]- 298.28772 181.5
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

patents stripe