CID 12597910

2-decyl-1,4,7,10,13-pentaoxacyclopentadecane

Structural Information

Molecular Formula
C20H40O5
SMILES
CCCCCCCCCCC1COCCOCCOCCOCCO1
InChI
InChI=1S/C20H40O5/c1-2-3-4-5-6-7-8-9-10-20-19-24-16-15-22-12-11-21-13-14-23-17-18-25-20/h20H,2-19H2,1H3
InChIKey
OJJIHHOHJLKUBM-UHFFFAOYSA-N
Compound name
2-decyl-1,4,7,10,13-pentaoxacyclopentadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.28757 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.294846 194.2
[M+Na]+ 383.276788 192.5
[M-H]- 359.280294 196.4
[M+NH4]+ 378.321393 196.5
[M+K]+ 399.250728 196.9
[M+H-H2O]+ 343.284830 190.6
[M+HCOO]- 405.285771 203.0
[M+CH3COO]- 419.301421 206.2
[M+Na-2H]- 381.262236 195.7
[M]+ 360.28702142 192.0
[M]- 360.28811858 192.0
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

patents stripe