CID 625165

2-hexadecyloctadecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1942
Patents

508.52194 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.52922 246.5
[M+Na]+ 531.51116 247.6
[M+NH4]+ 526.55576 245.0
[M+K]+ 547.48510 246.0
[M-H]- 507.51466 229.0
[M+Na-2H]- 529.49661 245.2
[M]+ 508.52139 241.5
[M]- 508.52249 241.5
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