CID 129853909

10,12-tritriacontanedione

Structural Information

Molecular Formula
C33H64O2
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCC
InChI
InChI=1S/C33H64O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-33(35)31-32(34)29-27-25-23-10-8-6-4-2/h3-31H2,1-2H3
InChIKey
FMVLYJUATISDME-UHFFFAOYSA-N
Compound name
tritriacontane-10,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.49063 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.49791 239.6
[M+Na]+ 515.47985 246.5
[M-H]- 491.48335 223.2
[M+NH4]+ 510.52445 240.0
[M+K]+ 531.45379 246.8
[M+H-H2O]+ 475.48789 234.2
[M+HCOO]- 537.48883 246.2
[M+CH3COO]- 551.50448 250.8
[M+Na-2H]- 513.46530 225.8
[M]+ 492.49008 240.7
[M]- 492.49118 240.7
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

No patent data available for this compound.