CID 85770110

Tritriacontan-10-one

Structural Information

Molecular Formula
C33H66O
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCCC
InChI
InChI=1S/C33H66O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30-32-33(34)31-29-27-25-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
TXHVCYSECLWSLN-UHFFFAOYSA-N
Compound name
tritriacontan-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.51135 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.51863 241.3
[M+Na]+ 501.50057 247.8
[M-H]- 477.50407 222.0
[M+NH4]+ 496.54517 239.1
[M+K]+ 517.47451 230.3
[M+H-H2O]+ 461.50861 231.8
[M+HCOO]- 523.50955 249.4
[M+CH3COO]- 537.52520 249.2
[M+Na-2H]- 499.48602 232.7
[M]+ 478.51080 242.7
[M]- 478.51190 242.7
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.