CID 3023587

Butyl 16-methylheptadecanoate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C22H44O2/c1-4-5-20-24-22(23)19-17-15-13-11-9-7-6-8-10-12-14-16-18-21(2)3/h21H,4-20H2,1-3H3
InChIKey
BKEUNIPSDCRXQK-UHFFFAOYSA-N
Compound name
butyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1533
Patents

340.33414 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 194.3
[M+Na]+ 363.32336 201.0
[M+NH4]+ 358.36796 199.3
[M+K]+ 379.29730 192.9
[M-H]- 339.32686 192.6
[M+Na-2H]- 361.30881 193.5
[M]+ 340.33359 194.4
[M]- 340.33469 194.4
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