CID 100966702

6-icosyloxan-2-one

Structural Information

Molecular Formula
C25H48O2
SMILES
CCCCCCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChI
InChI=1S/C25H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24-22-20-23-25(26)27-24/h24H,2-23H2,1H3
InChIKey
ZAXTWDYRIPXPNX-UHFFFAOYSA-N
Compound name
6-icosyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.36542 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.37270 206.7
[M+Na]+ 403.35464 205.4
[M-H]- 379.35814 206.9
[M+NH4]+ 398.39924 217.2
[M+K]+ 419.32858 201.5
[M+H-H2O]+ 363.36268 198.0
[M+HCOO]- 425.36362 221.2
[M+CH3COO]- 439.37927 224.7
[M+Na-2H]- 401.34009 203.6
[M]+ 380.36487 211.3
[M]- 380.36597 211.3
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.