CID 100966704

6-docosyloxan-2-one

Structural Information

Molecular Formula
C27H52O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C27H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-24-22-25-27(28)29-26/h26H,2-25H2,1H3
InChIKey
RONCAXWVTXWPAM-UHFFFAOYSA-N
Compound name
6-docosyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.39673 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.40401 215.5
[M+Na]+ 431.38595 213.3
[M-H]- 407.38945 215.2
[M+NH4]+ 426.43055 224.7
[M+K]+ 447.35989 208.8
[M+H-H2O]+ 391.39399 206.3
[M+HCOO]- 453.39493 229.2
[M+CH3COO]- 467.41058 230.6
[M+Na-2H]- 429.37140 211.2
[M]+ 408.39618 220.7
[M]- 408.39728 220.8
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.