CID 100966706

6-tricosyloxan-2-one

Structural Information

Molecular Formula
C28H54O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(29)30-27/h27H,2-26H2,1H3
InChIKey
GEDIPNYUUCCFOC-UHFFFAOYSA-N
Compound name
6-tricosyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.41238 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.41966 219.8
[M+Na]+ 445.40160 217.2
[M-H]- 421.40510 219.3
[M+NH4]+ 440.44620 228.5
[M+K]+ 461.37554 212.4
[M+H-H2O]+ 405.40964 210.4
[M+HCOO]- 467.41058 233.2
[M+CH3COO]- 481.42623 233.5
[M+Na-2H]- 443.38705 215.0
[M]+ 422.41183 225.4
[M]- 422.41293 225.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.