CID 216234

Hexadecyl 16-methylheptadecanoate

Structural Information

Molecular Formula
C34H68O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C34H68O2/c1-4-5-6-7-8-9-10-11-14-17-20-23-26-29-32-36-34(35)31-28-25-22-19-16-13-12-15-18-21-24-27-30-33(2)3/h33H,4-32H2,1-3H3
InChIKey
FBQVFXLUGAFMIO-UHFFFAOYSA-N
Compound name
hexadecyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3318
Patents

508.52194 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.529216 246.6
[M+Na]+ 531.511158 252.9
[M-H]- 507.514664 229.2
[M+NH4]+ 526.555763 246.7
[M+K]+ 547.485098 253.8
[M+H-H2O]+ 491.519200 247.0
[M+HCOO]- 553.520141 252.2
[M+CH3COO]- 567.535791 253.7
[M+Na-2H]- 529.496606 231.8
[M]+ 508.52139142 247.7
[M]- 508.52248858 247.7
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