CID 537150

25-hydroxyhentriacontane-14,16-dione

Structural Information

Molecular Formula
C31H60O3
SMILES
CCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC(CCCCCC)O
InChI
InChI=1S/C31H60O3/c1-3-5-7-9-10-11-12-13-14-18-22-26-30(33)28-31(34)27-23-19-16-15-17-21-25-29(32)24-20-8-6-4-2/h29,32H,3-28H2,1-2H3
InChIKey
MBWYKVFQDJGFDD-UHFFFAOYSA-N
Compound name
25-hydroxyhentriacontane-14,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.45425 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.46153 237.5
[M+Na]+ 503.44347 238.9
[M+NH4]+ 498.48807 237.3
[M+K]+ 519.41741 237.1
[M-H]- 479.44697 223.2
[M+Na-2H]- 501.42892 237.8
[M]+ 480.45370 233.5
[M]- 480.45480 233.5
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

No patent data available for this compound.