CID 154874

24514-86-1

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

4
References

106
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

patents stripe